Mrv1652306031608392D 89 96 0 0 0 0 999 V2000 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8908 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5408 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1612 8.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9862 6.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 1.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8427 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4454 4.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 5.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 8.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 7.4250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10 2 1 0 0 0 0 11 3 2 0 0 0 0 12 4 1 0 0 0 0 13 5 2 0 0 0 0 14 6 2 0 0 0 0 15 7 2 0 0 0 0 16 8 2 0 0 0 0 17 9 2 0 0 0 0 23 1 1 0 0 0 0 23 22 1 0 0 0 0 24 2 2 0 0 0 0 24 3 1 0 0 0 0 25 4 2 0 0 0 0 25 5 1 0 0 0 0 26 6 1 0 0 0 0 26 18 2 0 0 0 0 27 7 1 0 0 0 0 27 19 2 0 0 0 0 28 8 1 0 0 0 0 28 20 2 0 0 0 0 29 9 1 0 0 0 0 29 21 2 0 0 0 0 30 10 2 0 0 0 0 30 11 1 0 0 0 0 31 12 2 0 0 0 0 31 13 1 0 0 0 0 32 14 1 0 0 0 0 33 15 1 0 0 0 0 34 16 1 0 0 0 0 35 17 1 0 0 0 0 36 18 1 0 0 0 0 36 32 2 0 0 0 0 37 19 1 0 0 0 0 37 33 2 0 0 0 0 38 20 1 0 0 0 0 38 34 2 0 0 0 0 39 21 1 0 0 0 0 39 35 2 0 0 0 0 48 40 1 0 0 0 0 49 41 1 0 0 0 0 50 42 2 0 0 0 0 51 43 2 0 0 0 0 52 22 1 4 0 0 0 52 44 2 0 0 0 0 53 23 1 4 0 0 0 53 45 2 0 0 0 0 54 36 1 0 0 0 0 54 42 1 0 0 0 0 55 37 1 0 0 0 0 55 43 1 0 0 0 0 56 32 1 4 0 0 0 56 46 2 0 0 0 0 57 33 1 4 0 0 0 57 47 2 0 0 0 0 58 40 2 0 0 0 0 58 44 1 0 0 0 0 59 41 2 0 0 0 0 59 45 1 0 0 0 0 60 40 1 0 0 0 0 60 46 1 0 0 0 0 61 41 1 0 0 0 0 61 47 1 0 0 0 0 62 44 1 0 0 0 0 62 46 1 0 0 0 0 63 45 1 0 0 0 0 63 47 1 0 0 0 0 64 24 1 0 0 0 0 65 25 1 0 0 0 0 66 28 1 0 0 0 0 66 64 2 0 0 0 0 67 29 1 0 0 0 0 67 65 2 0 0 0 0 68 26 1 0 0 0 0 69 27 1 0 0 0 0 70 34 1 0 0 0 0 70 68 2 0 0 0 0 71 35 1 0 0 0 0 71 69 2 0 0 0 0 72 42 1 0 0 0 0 73 43 1 0 0 0 0 86 30 1 0 0 0 0 86 74 1 0 0 0 0 86 75 2 0 0 0 0 86 76 2 0 0 0 0 87 31 1 0 0 0 0 87 77 1 0 0 0 0 87 78 2 0 0 0 0 87 79 2 0 0 0 0 88 38 1 0 0 0 0 88 80 1 0 0 0 0 88 81 2 0 0 0 0 88 82 2 0 0 0 0 89 39 1 0 0 0 0 89 83 1 0 0 0 0 89 84 2 0 0 0 0 89 85 2 0 0 0 0 M END > CHEM044889 > chemdb > CC(CN=C1NC(NC(F)=N1)=NC1=C(NC(O)=N)C=C(C=C1)\N=N\C1=C(C=C(C=C1)\N=N\C1=CC=C(C=C1)S(O)(=O)=O)S(O)(=O)=O)N=C1NC(NC(F)=N1)=NC1=C(NC(O)=N)C=C(C=C1)\N=N\C1=C(C=C(C=C1)\N=N\C1=CC=C(C=C1)S(O)(=O)=O)S(O)(=O)=O > InChI=1S/C47H40F2N22O14S4/c1-23(53-45-59-41(49)61-47(63-45)57-33-15-7-27(19-37(33)55-43(51)73)69-71-35-17-9-29(21-39(35)89(83,84)85)67-65-25-4-12-31(13-5-25)87(77,78)79)22-52-44-58-40(48)60-46(62-44)56-32-14-6-26(18-36(32)54-42(50)72)68-70-34-16-8-28(20-38(34)88(80,81)82)66-64-24-2-10-30(11-3-24)86(74,75)76/h2-21,23H,22H2,1H3,(H3,50,54,72)(H3,51,55,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H2,52,56,58,60,62)(H2,53,57,59,61,63)/b66-64+,67-65+,70-68+,71-69+ > NSJXXRKYSQMCAN-HQMKHLFISA-N > C47H40F2N22O14S4 > 1303.21 > 1302.194525078 > 36 > 129 > 125.63343649790677 > 0 > 14 > 0 > 0 > 2-[(E)-2-[4-({6-fluoro-4-[(2-{[4-fluoro-6-({2-[(C-hydroxycarbonimidoyl)amino]-4-[(E)-2-{2-sulfo-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]phenyl}diazen-1-yl]phenyl}imino)-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]amino}propyl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene}amino)-3-[(C-hydroxycarbonimidoyl)amino]phenyl]diazen-1-yl]-5-[(E)-2-(4-sulfophenyl)diazen-1-yl]benzene-1-sulfonic acid > 2.01 > 9.636507558666667 > -4.86 > 1 > 8 > -7 > -2.9723299544319337 > -3.434973434094635 > -7.563830458639505 > 550.8600000000002 > 350.9396 > 19 > 0 > 1.81e-02 g/l > 2-[(E)-2-(4-{[4-fluoro-6-({2-[(4-fluoro-6-{[2-(C-hydroxycarbonimidoylamino)-4-[(E)-2-{2-sulfo-4-[(E)-2-(4-sulfophenyl)diazen-1-yl]phenyl}diazen-1-yl]phenyl]imino}-1,5-dihydro-1,3,5-triazin-2-ylidene)amino]propyl}imino)-1,3-dihydro-1,3,5-triazin-2-ylidene]amino}-3-(C-hydroxycarbonimidoylamino)phenyl)diazen-1-yl]-5-[(E)-2-(4-sulfophenyl)diazen-1-yl]benzenesulfonic acid > 0 > 1,2-bis[4-[4-{4-(4-sulfophenylazo)-2-sulfophenylazo}-2-ureido-phenyl-amino]-6-fluoro-1,3,5-triazin-2-ylamino]propane $$$$