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
-4.2497 -0.2737 1.3119 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.6566 0.0898 -0.1993 S 0 0 0 0 0 6 0 0 0 0 0 0
-3.8458 -1.0712 -1.1570 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3935 1.2555 -0.8350 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9366 0.4314 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0361 -0.5204 -0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3833 -0.2367 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2985 -1.2877 -0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6569 -1.0543 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1750 0.2225 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2688 1.2555 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9004 1.0241 -0.1255 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
-1.6519 1.4577 -0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3265 -1.5774 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8981 -2.3065 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3256 -1.8945 -0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2478 0.3349 -0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6741 2.2564 -0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2680 1.8945 -0.0509 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