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
-0.2763 -0.1098 0.9645 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1962 -0.1605 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5222 0.2286 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6755 0.6816 1.7213 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6586 0.0243 -0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8788 -0.5793 -1.2502 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4605 -0.9761 -1.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4243 0.1165 -1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7410 -0.4556 -1.1046 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5535 -0.0499 0.2828 S 0 0 0 0 0 6 0 0 0 0 0 0
2.5192 0.2403 1.4237 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1489 -1.4038 0.8149 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7164 1.0588 0.4190 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
-3.6309 0.9739 2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8566 0.7637 2.4632 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5278 -0.2690 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9138 0.8740 -1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5353 -0.8869 -1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6967 -1.8166 -0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6641 -1.4978 -2.3157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4893 0.7677 -2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2798 0.8406 -0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9783 1.0932 1.4335 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