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
-3.3318 1.1462 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6485 0.1694 -0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2173 0.0149 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5407 -1.0604 -0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8150 -1.2369 -0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5398 -0.3531 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9228 0.7137 0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4486 0.8696 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2723 -0.5366 0.5482 S 0 0 0 0 0 6 0 0 0 0 0 0
3.6850 -1.9704 0.4196 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6189 0.0403 1.8912 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0326 0.3173 -0.6951 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
-2.8802 1.8992 0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3918 1.2118 0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1679 -0.5573 -0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1325 -1.7514 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3364 -2.0808 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4548 1.4371 1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9183 1.7274 1.2082 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