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
0.7917 0.2694 1.4233 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4170 -0.1614 0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 0.3009 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4165 -0.1528 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3775 1.2807 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7686 -1.0830 -0.3767 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5235 -1.5635 -0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5804 -0.4666 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8036 -1.1013 0.0237 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0895 -0.0466 0.0391 S 0 0 0 0 0 6 0 0 0 0 0 0
-4.9604 -0.3891 1.2294 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9100 -0.2697 -1.2126 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6173 1.5553 0.1470 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
3.0248 -0.8671 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4314 0.1938 -1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3714 0.8515 2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7853 2.2288 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4372 1.4906 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6553 -2.0894 0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7273 -2.3290 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4220 0.2017 0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5560 0.1231 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7342 2.0238 -0.7325 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