Monomers
CID 87705635
Identifiers
IUPAC name
None
InchI
InChI=1S/C6H10O6S.Na/c1-5(2)6(7)11-3-4-12-13(8,9)10;/h1,3-4H2,2H3,(H,8,9,10);
InchI Key
BUJXOJKSMCPEEB-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)OCCOS(=O)(=O)O.[Na]
Canonical SMILES
CC(=C)C(=O)OCCOS(=O)(=O)O.[Na]
Isomeric SMILES
CC(=C)C(=O)OCCOS(=O)(=O)O.[Na]
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10NaO6S
Heavy Atom Count
14
Molecular Weight
233.197
Exact Molecular Weight
233.0096
Valence Electrons
77
Radical Electrons
1
tPSA
89.9
MolLogP
-0.4557
H Bond Acceptors
5
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 22 0 0 0 0 0 0 0 0999 V2000
-0.9242 -0.1328 -1.1865 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4064 0.2379 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7648 -0.1016 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2789 0.2822 1.4724 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6155 -0.9097 -0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6365 0.9924 0.7758 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6842 1.4013 0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5598 0.1917 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8781 0.6577 0.1679 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8253 -0.7267 0.0168 S 0 0 0 0 0 6 0 0 0 0 0 0
3.0889 -1.6747 -0.8806 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9589 -1.3055 1.4076 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3297 -0.3744 -0.6265 O 0 0 0 0 0 0 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
-2.6457 0.8719 2.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2575 0.0610 1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1244 -1.6822 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0700 -1.3232 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4165 -0.2340 -0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7478 2.0212 -0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0705 1.9747 1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5106 -0.3788 1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2331 -0.3917 -0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2538 0.5432 -1.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 3
3 5 1 0
2 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 2 0
10 13 1 0
4 15 1 0
4 16 1 0
5 17 1 0
5 18 1 0
5 19 1 0
7 20 1 0
7 21 1 0
8 22 1 0
8 23 1 0
13 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers