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+]
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
4.1723 -1.5723 -0.0061 O 0 0 0 0 0 1 0 0 0 0 0 0
3.6283 0.0286 0.0566 S 0 0 0 0 0 6 0 0 0 0 0 0
4.4205 0.8144 1.0576 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7435 0.6904 -1.2861 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9142 0.0385 0.4869 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0270 -0.0071 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4114 -0.0051 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2932 -0.0561 -1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6395 -0.0529 -1.0814 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1469 -0.0001 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2616 0.0496 1.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8846 0.0484 1.0457 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
1.6836 0.0824 1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3567 -0.0511 -1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8772 -0.0978 -2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3533 -0.0920 -1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2204 0.0007 0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6357 0.0920 2.2558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2222 0.0896 1.9167 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