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
3.5221 -0.3016 -0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5800 -0.3420 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1794 -0.1715 0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2495 -0.2280 1.2671 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1050 -0.0718 1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5757 0.1484 -0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6915 0.2123 -1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6799 0.0513 -1.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2952 0.3546 -0.5110 S 0 0 0 0 0 6 0 0 0 0 0 0
-3.5766 -0.0747 -1.9231 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0809 -0.4355 0.4905 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7364 1.9787 -0.4016 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
4.5626 -0.4364 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3195 -0.1368 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8885 -0.5177 1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5896 -0.4016 2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8304 -0.1172 1.8772 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0479 0.3870 -2.2591 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3685 0.1026 -1.8543 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