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
    3.5627   -0.1284    0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269    0.0109   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1950    0.0021   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6561   -0.1559    0.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7228   -0.1572    1.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093   -0.0004    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715    0.1578   -1.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930    0.1589   -1.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3505   -0.0012    0.3676 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.7508   -0.8385    1.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9809   -0.4175   -0.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8447    1.5884    0.6591 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
    3.2982   -0.2611    1.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5935   -0.1097    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9410    0.1432   -1.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -0.2813    1.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1321   -0.2821    2.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7450    0.2852   -2.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    0.2869   -2.3720 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