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
    3.3678   -0.9523   -0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276    0.1138   -0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2013    0.1370   -0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698    1.3049   -0.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8819    1.3387    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5587    0.1692    0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8477   -1.0117    0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4912   -1.0038    0.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2704    0.2495    0.7647 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.9445    1.3249   -0.0539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8725   -1.0802    0.3679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4668    0.5337    2.4146 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
    4.4220   -0.9060   -0.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9853   -1.9380   -0.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0811    1.0655   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9974    2.2220   -0.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4054    2.2833    0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3974   -1.9064    0.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0019   -1.9440    0.2062 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