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
-0.6006 1.4723 0.6552 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3278 0.5517 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7091 0.3963 0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1622 1.2349 1.6099 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5529 -0.6957 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7976 -0.2798 -0.7430 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5075 -0.2216 -1.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5187 -0.4083 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7826 -0.3424 -0.7798 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9895 -0.5449 0.3869 S 0 0 0 0 0 6 0 0 0 0 0 0
5.1208 -1.3758 -0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3466 -1.2410 1.5636 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5231 0.9736 0.8152 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
-2.5608 2.0351 2.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1844 1.0983 1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6187 -0.5322 0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1834 -1.6439 0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2725 -0.7971 -0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6636 0.7400 -1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5595 -1.0455 -2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4273 0.3546 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3342 -1.4142 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1966 1.6858 0.2113 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