Mrv1652306031608402D 82 86 0 0 0 0 999 V2000 -5.1689 -7.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 7.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4544 -4.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 5.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4544 -7.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 7.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5965 0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5965 0.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5965 -4.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6903 3.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 -4.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 2.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4544 -4.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 6.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 -3.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6903 2.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5965 -4.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 3.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 -4.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 2.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 -5.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 3.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 -5.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 7.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 -5.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6903 5.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8834 -4.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 7.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 -6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6903 7.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 -6.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9758 6.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0255 -2.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 3.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 2.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5965 -2.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 2.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 -2.8009 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 4.6241 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.5978 -5.2759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 8.3366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -0.3259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 2.1491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 -2.8009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9758 2.1491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0255 -1.5634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 3.3866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -2.8009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 3.3866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5965 -1.5634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 2.1491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -5.2759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 4.6241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0255 -4.8634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6903 5.0366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4544 -6.5134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9758 7.0991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8834 -4.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8337 7.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8834 -6.5134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6903 8.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0255 -6.5134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 5.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 -3.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1344 -2.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9594 -4.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 0.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5798 1.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2298 1.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 -6.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 -6.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0571 -6.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2462 3.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5482 4.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 4.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 -3.6259 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 1.3241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 -6.1009 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8337 3.7991 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4339 0.0000 0.0000 Li 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 10 2 0 0 0 0 17 11 2 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 20 12 2 0 0 0 0 20 16 1 0 0 0 0 21 13 2 0 0 0 0 21 17 1 0 0 0 0 22 12 1 0 0 0 0 22 18 2 0 0 0 0 23 13 1 0 0 0 0 23 19 2 0 0 0 0 24 14 2 0 0 0 0 25 15 2 0 0 0 0 26 14 1 0 0 0 0 27 15 1 0 0 0 0 28 24 1 0 0 0 0 29 25 1 0 0 0 0 30 24 1 0 0 0 0 31 25 1 0 0 0 0 32 26 2 0 0 0 0 33 27 2 0 0 0 0 40 34 1 0 0 0 0 41 35 1 0 0 0 0 42 28 2 0 0 0 0 43 29 2 0 0 0 0 44 8 1 0 0 0 0 44 36 1 0 0 0 0 45 9 1 4 0 0 0 45 37 2 0 0 0 0 46 16 1 4 0 0 0 46 38 2 0 0 0 0 47 17 1 4 0 0 0 47 39 2 0 0 0 0 48 34 2 0 0 0 0 48 36 1 0 0 0 0 49 35 2 0 0 0 0 49 37 1 0 0 0 0 50 34 1 0 0 0 0 50 38 1 0 0 0 0 51 35 1 0 0 0 0 51 39 1 0 0 0 0 52 36 2 0 0 0 0 52 38 1 0 0 0 0 53 37 1 0 0 0 0 53 39 1 0 0 0 0 54 18 1 0 0 0 0 55 19 1 0 0 0 0 56 26 1 0 0 0 0 56 54 2 0 0 0 0 57 27 1 0 0 0 0 57 55 2 0 0 0 0 58 5 1 0 0 0 0 58 30 1 0 0 0 0 58 32 1 0 0 0 0 59 6 1 0 0 0 0 59 31 1 0 0 0 0 59 33 1 0 0 0 0 60 28 1 0 0 0 0 61 29 1 0 0 0 0 62 30 2 0 0 0 0 63 31 2 0 0 0 0 64 32 1 0 0 0 0 65 33 1 0 0 0 0 78 20 1 0 0 0 0 78 66 1 0 0 0 0 78 67 2 0 0 0 0 78 68 2 0 0 0 0 79 21 1 0 0 0 0 79 69 1 0 0 0 0 79 70 2 0 0 0 0 79 71 2 0 0 0 0 80 22 1 0 0 0 0 80 72 1 0 0 0 0 80 73 2 0 0 0 0 80 74 2 0 0 0 0 81 23 1 0 0 0 0 81 75 1 0 0 0 0 81 76 2 0 0 0 0 81 77 2 0 0 0 0 M RAD 1 8 2 M END > CHEM044904 > chemdb > [Li].CCN1C(O)=C(\N=N\C2=C(C=C(C(=C2)N=C2NC(F)=NC(N2)=NCC[CH]NC2=NC(NC(F)=N2)=NC2=CC(\N=N\C3=C(O)N(CC)C(=O)C(C(O)=N)=C3C)=C(C=C2S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(C)=C(C(O)=N)C1=O > InChI=1S/C39H39F2N18O18S4.Li/c1-5-58-30(62)24(28(42)60)14(3)26(32(58)64)56-54-18-10-16(20(78(66,67)68)12-22(18)80(72,73)74)46-38-50-34(40)48-36(52-38)44-8-7-9-45-37-49-35(41)51-39(53-37)47-17-11-19(23(81(75,76)77)13-21(17)79(69,70)71)55-57-27-15(4)25(29(43)61)31(63)59(6-2)33(27)65;/h8,10-13,64-65H,5-7,9H2,1-4H3,(H2,42,60)(H2,43,61)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H2,44,46,48,50,52)(H2,45,47,49,51,53);/b56-54+,57-55+; > FXKYPTVTSPPQBE-TWBZJHIHSA-N > C39H39F2LiN18O18S4 > 1221.03 > 1220.17006595 > 34 > 121 > 110.926689424234 > 0 > 14 > 0 > 0 > 3-{[6-({5-[(E)-2-[1-ethyl-2-hydroxy-5-(C-hydroxycarbonimidoyl)-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]diazen-1-yl]-2,4-disulfophenyl}imino)-4-fluoro-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene]amino}-1-{[4-({5-[(E)-2-[1-ethyl-2-hydroxy-5-(C-hydroxycarbonimidoyl)-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]diazen-1-yl]-2,4-disulfophenyl}imino)-6-fluoro-4,5-dihydro-1,3,5-triazin-2-yl]amino}propyl lithium > 0.33 > 1.597666467333334 > -4.94 > 1 > 6 > -7 > -2.826203880534945 > -3.284186708523854 > 558.4400000000002 > 321.74969999999996 > 19 > 0 > 1.40e-02 g/l > 3-{[4-({5-[(E)-2-[1-ethyl-2-hydroxy-5-(C-hydroxycarbonimidoyl)-4-methyl-6-oxopyridin-3-yl]diazen-1-yl]-2,4-disulfophenyl}imino)-6-fluoro-3,5-dihydro-1,3,5-triazin-2-ylidene]amino}-1-{[4-({5-[(E)-2-[1-ethyl-2-hydroxy-5-(C-hydroxycarbonimidoyl)-4-methyl-6-oxopyridin-3-yl]diazen-1-yl]-2,4-disulfophenyl}imino)-6-fluoro-5H-1,3,5-triazin-2-yl]amino}propyl lithium > 0 > 1,3-bis{6-fluoro-4-[1,5-disulfo-4-(3-aminocarbonyl-1-ethyl-6-hydroxy-4-methylpyrid-2-on-5-ylazo)phenyl-2-ylamino]-1,3,5-triazin-2-ylamino}propane lithium $$$$