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
    3.4277   -0.9000    0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6893    0.1933    0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359    0.1352    0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5092   -1.0357    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8881   -1.0136    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953    0.1639   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8802    1.3376   -0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4968    1.3080   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3595    0.1541   -0.1734 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.7689    1.3461   -1.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7456   -1.0708   -0.9298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0522    0.2341    1.3362 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
    4.5121   -0.7493    0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0273   -1.8812    0.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1514    1.1889    0.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0366   -1.9904    0.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4270   -1.9465    0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4175    2.2830   -0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0480    2.2432   -0.0696 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