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
-1.8912 1.2427 1.3436 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8485 0.3678 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0855 -0.2109 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2195 0.1614 0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0589 -1.2292 -1.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6030 0.0214 -0.0811 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5377 0.6678 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7896 0.1302 -0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8647 0.8027 0.3188 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3257 0.3404 -0.3365 S 0 0 0 0 0 6 0 0 0 0 0 0
4.1305 -0.4561 -1.5833 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1115 1.5706 -0.6642 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1638 -0.5191 0.8450 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
-4.2503 0.9074 1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1687 -0.2521 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8066 -2.0190 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2857 -0.7127 -2.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0386 -1.6438 -1.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6249 0.5728 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5287 1.7620 0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7734 0.3988 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8476 -0.9544 -0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5585 -0.9486 1.5002 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