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
   -3.5000   -0.0179    0.6518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6821    0.1068   -0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2294    0.0586   -0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759   -0.1297    0.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8213   -0.1738    1.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5995   -0.0296   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9486    0.1591   -1.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    0.2023   -1.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -0.0913    0.0656 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.7408   -0.9733    1.2349 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9531   -0.7057   -1.1567 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9848    1.4241    0.3409 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
   -4.5610    0.0288    0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1326   -0.1701    1.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0936    0.2601   -1.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1327   -0.2501    1.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3204   -0.3240    1.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5689    0.2717   -2.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9346    0.3539   -2.3308 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