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
-3.4257 1.0067 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6169 0.2073 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1944 0.0422 -0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4083 -0.8288 -1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9361 -1.0194 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5684 -0.3274 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8040 0.5469 0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5618 0.7370 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2778 -0.5354 0.5321 S 0 0 0 0 0 6 0 0 0 0 0 0
3.7132 -1.8964 0.0823 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5472 -0.2678 1.9632 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1315 0.5927 -0.4048 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
-3.0664 1.6047 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4545 1.0660 -0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0207 -0.3861 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9248 -1.3775 -1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5108 -1.7029 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3052 1.0981 1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1206 1.4403 1.2959 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