Mrv1572004251605532D          

 17 13  0  0  0  0            999 V2000
   -1.5125   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -0.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5500    0.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625   -0.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    0.2382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321   -0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2071   -0.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7946    0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1446    0.1786    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9696    1.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9696   -0.6464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9696    0.1786    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3196    0.1786    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 13  9  1  0  0  0  0
 13 10  1  0  0  0  0
 13 11  2  0  0  0  0
 13 12  2  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
M  CHG  2  10  -1  17   1
M  END
> <DATABASE_ID>
CHEM009225

> <DATABASE_NAME>
chemdb

> <SMILES>
[Na+].OC=C.CC(=O)OC=C.[O-]S(=O)(=O)CC=C

> <INCHI_IDENTIFIER>
InChI=1S/C4H6O2.C3H6O3S.C2H4O.Na/c1-3-6-4(2)5;1-2-3-7(4,5)6;1-2-3;/h3H,1H2,2H3;2H,1,3H2,(H,4,5,6);2-3H,1H2;/q;;;+1/p-1

> <INCHI_KEY>
ZLEDAACMPXDTSB-UHFFFAOYSA-M

> <FORMULA>
C9H15NaO6S

> <MOLECULAR_WEIGHT>
274.26

> <EXACT_MASS>
274.04870366

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
10.248367056899042

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium ethenol ethenyl acetate prop-2-ene-1-sulfonate

> <ALOGPS_LOGP>
0.05

> <JCHEM_LOGP>
-0.07693452800000011

> <ALOGPS_LOGS>
-0.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.1886299760201737

> <JCHEM_POLAR_SURFACE_AREA>
57.199999999999996

> <JCHEM_REFRACTIVITY>
24.696300000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.77e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium vinyl acetate vinyl alcohol prop-2-ene-1-sulfonate

> <JCHEM_VEBER_RULE>
0

> <NAME>
2-Propene-1-sulfonic acid, sodium salt, polymer with ethenol and ethenyl acetate

> <CAS>
107568-10-5

$$$$