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
-0.8937 -0.9178 1.1803 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4468 -0.1218 0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 -0.4104 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3957 -1.5080 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4482 0.5053 -1.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7585 1.0170 0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5246 1.3857 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5513 0.3805 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7835 0.8186 0.5829 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0006 -0.2500 0.2068 S 0 0 0 0 0 6 0 0 0 0 0 0
3.8274 -1.4702 1.0805 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3127 0.4193 0.4939 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9339 -0.6979 -1.4190 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
-4.3735 -1.7287 -0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9402 -2.1974 0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0780 1.5382 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5489 0.5006 -1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1867 0.3327 -2.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5358 1.5412 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7343 2.3960 0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6327 0.3124 -1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2871 -0.6195 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7384 -1.2257 -1.6297 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