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
-3.4575 0.2641 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5525 -0.6477 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1547 -0.3766 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6925 0.9103 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6679 1.1452 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5737 0.1110 0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0715 -1.1608 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2496 -1.4413 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2667 0.4323 0.5024 S 0 0 0 0 0 6 0 0 0 0 0 0
4.1403 -0.6180 -0.1494 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5750 1.7940 -0.0756 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5791 0.4584 2.1435 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
-3.2404 1.3061 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5188 0.0234 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8520 -1.7088 -0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3655 1.7684 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0283 2.1633 0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7945 -1.9698 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -2.4535 -0.2289 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