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
-1.8815 0.7300 -1.8249 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6697 0.3382 -0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7786 0.0536 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5544 -0.3557 1.4914 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1663 0.2305 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3445 0.2029 -0.2758 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7198 0.4947 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0592 0.2731 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2611 -1.0191 -0.1409 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7759 -1.2136 0.5549 S 0 0 0 0 0 6 0 0 0 0 0 0
4.7200 -1.9271 -0.3823 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7202 -1.9906 1.8144 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4434 0.3114 0.8300 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
-3.3691 -0.5700 2.1681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5531 -0.4927 1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2131 0.5749 -1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7746 -0.7024 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6654 0.9931 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6034 1.5482 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5634 -0.1539 -2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8511 0.6656 -1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1061 0.9230 0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1466 0.6817 1.6824 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