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+]
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
-3.4274 0.5983 -0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6656 -0.3188 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2204 -0.1977 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4588 -1.2284 0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9047 -1.1156 0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5861 -0.0345 0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8565 0.9782 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5349 0.8845 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3267 0.0417 0.3233 S 0 0 0 0 0 6 0 0 0 0 0 0
3.7805 1.4664 0.4623 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7582 -0.7219 1.5467 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9575 -0.6612 -1.0761 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
-3.0165 1.4849 -0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4982 0.4721 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1068 -1.2191 0.5467 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9788 -2.1009 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4873 -1.9132 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3140 1.8697 -0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0642 1.7157 -0.8186 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