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
    3.4587   -0.7914   -0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246    0.1266   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1837    0.0888   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5718   -0.9366    0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8084   -0.9284    0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5803    0.1074    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9564    1.1342   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3976    1.1381   -0.7023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3061    0.2181    0.3979 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.8483   -1.1798    0.3684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8702    0.9308   -0.7928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7006    1.0061    1.8261 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
    4.5066   -0.6943   -0.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1428   -1.6685    0.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0180    1.0043   -1.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792   -1.7572    0.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754   -1.7488    1.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5616    1.9542   -0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8242    1.9966   -1.2394 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