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
-1.5983 1.1125 -1.1989 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7431 0.3663 -0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0845 0.0379 0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2304 -0.7295 1.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2651 0.5854 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5922 -0.0998 0.4308 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6636 0.2763 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8191 -0.2863 0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9895 0.1532 0.0291 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3565 -0.4504 0.8265 S 0 0 0 0 0 6 0 0 0 0 0 0
4.1572 -1.9118 1.0871 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4954 0.2096 2.1883 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7039 -0.1348 -0.0965 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
-2.3807 -1.1184 1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2111 -0.9741 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3092 0.1845 -1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1992 0.3966 0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1808 1.7010 -0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7471 1.3929 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7538 0.0032 -1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8056 -1.3802 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8185 0.1545 1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4845 0.5114 -0.8005 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