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
   -3.4616    0.2388   -0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6177   -0.5813   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1941   -0.3248   -0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6259    0.7875   -0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    0.9875   -0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5727    0.0897   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0429   -1.0315    0.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190   -1.2259    0.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2821    0.3732   -0.0380 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.0259   -0.9363    0.0289 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7436    1.1431   -1.2344 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    1.2487    1.3344 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
   -4.5466    0.0402   -0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1885    1.1549   -1.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9920   -1.4785    0.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2317    1.5347   -1.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1454    1.8699   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6545   -1.7843    1.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7636   -2.1056    0.9047 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