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
-1.7584 -2.1995 -0.4859 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6703 -0.9951 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8806 -0.2067 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0344 -0.7884 -0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8926 1.2197 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4063 -0.5039 0.0995 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7681 -1.2865 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9918 -0.4880 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1346 0.6001 -0.5391 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5007 1.4746 -0.1563 S 0 0 0 0 0 6 0 0 0 0 0 0
3.9574 1.0666 1.2125 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1170 2.9257 -0.1008 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7015 1.2097 -1.3089 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
-4.9885 -0.2637 -0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1012 -1.8444 -0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2416 1.7837 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6883 1.4316 1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9259 1.6018 0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8448 -1.5733 -1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7338 -2.2048 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8889 -1.1273 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9668 -0.0972 1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9824 0.2656 -1.2273 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