Monomers

Sodium 4-vinylbenzenesulfonate

Identifiers

IUPAC name
sodium;4-ethenylbenzenesulfonate
InchI
InChI=1S/C8H8O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+1/p-1
InchI Key
XFTALRAZSCGSKN-UHFFFAOYSA-M
SMILES
C=Cc1ccc(cc1)S(=O)(=O)[O-].[Na+]
Canonical SMILES
C=CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
Isomeric SMILES
C=CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H7NaO3S
Heavy Atom Count
13
Molecular Weight
206.198
Exact Molecular Weight
206.0014
Valence Electrons
64
Radical Electrons
0
tPSA
57.2
MolLogP
-1.7623
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 19  0  0  0  0  0  0  0  0999 V2000
    3.5221   -0.3016   -0.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800   -0.3420    0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794   -0.1715    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2495   -0.2280    1.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050   -0.0718    1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757    0.1484   -0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6915    0.2123   -1.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799    0.0513   -1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2952    0.3546   -0.5110 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.5766   -0.0747   -1.9231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0809   -0.4355    0.4905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7364    1.9787   -0.4016 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    4.5626   -0.4364   -0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3195   -0.1368   -1.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8885   -0.5177    1.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5896   -0.4016    2.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8304   -0.1172    1.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    0.3870   -2.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3685    0.1026   -1.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
  8  3  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  4 17  1  0
  5 18  1  0
  7 19  1  0
  8 20  1  0
M  CHG  2  12  -1  13   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers