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
3.4568 -0.5837 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6512 0.3100 -0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2016 0.1842 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4349 1.1924 -1.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9336 1.0944 -1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5730 0.0414 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -0.9589 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5479 -0.8610 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3188 -0.0827 -0.3459 S 0 0 0 0 0 6 0 0 0 0 0 0
-3.9305 0.6819 -1.4970 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7355 -1.5107 -0.3381 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8164 0.7042 1.0641 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
4.5281 -0.4038 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0546 -1.4321 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0657 1.1835 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9290 2.0319 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5296 1.8757 -1.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3176 -1.8067 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1230 -1.6600 0.6055 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