Monomers

Sodium styrenesulfonate

Identifiers

IUPAC name
sodium;2-phenylethenesulfonate
InchI
InChI=1S/C8H8O3S.Na/c9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-7H,(H,9,10,11);/q;+1/p-1
InchI Key
MNCGMVDMOKPCSQ-UHFFFAOYSA-M
SMILES
[O-]S(=O)(=O)C=Cc1ccccc1.[Na+]
Canonical SMILES
C1=CC=C(C=C1)C=CS(=O)(=O)[O-].[Na+]
Isomeric SMILES
C1=CC=C(C=C1)C=CS(=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
-1.7935
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
    3.9926    1.1822    0.2076 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.6301   -0.4148   -0.1633 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.3791   -1.3606    0.7347 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276   -0.7042   -1.6018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8846   -0.6135    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0692    0.2811   -0.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3754    0.1995   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9799   -0.8277    0.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3720   -0.8205    0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1514    0.1668    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5466    1.1943   -0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1744    1.2083   -0.8013 C   0  0  0  0  0  0  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
    1.5461   -1.4562    0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4815    1.1190   -0.9537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4009   -1.6346    0.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8155   -1.6349    1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2204    0.1311    0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1783    1.9682   -1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960    2.0165   -1.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  CHG  2   1  -1  13   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers