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
1.7114 -1.9981 0.7134 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7643 -0.7783 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0499 -0.0781 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1686 -0.7454 0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0944 1.3493 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5706 -0.1062 0.2415 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6237 -0.8347 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8529 0.0014 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9573 -0.8443 0.3442 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4054 -0.0616 0.1289 S 0 0 0 0 0 6 0 0 0 0 0 0
-5.0451 -0.3857 -1.1971 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3456 -0.5441 1.2227 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2503 1.6055 0.2915 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
4.1226 -1.7885 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1030 -0.2265 0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8668 1.8225 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3218 1.5380 -1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1502 1.8928 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6784 -1.6882 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6155 -1.2447 1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9611 0.8191 0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8064 0.4159 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3818 1.8799 -0.0980 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