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
2.4944 -1.4795 -0.8834 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9795 -0.4854 -0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7520 0.6960 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0639 0.7349 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1036 1.8650 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6205 -0.5016 -0.0792 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2071 -1.6051 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6302 -1.3285 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1567 -0.2142 -0.6308 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7363 -0.0202 -0.0910 S 0 0 0 0 0 6 0 0 0 0 0 0
-4.1994 -1.2420 0.6879 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6074 0.1011 -1.3059 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8574 1.3393 0.8973 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
4.5742 -0.0881 -0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6399 1.5989 0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2011 2.7762 0.0333 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0107 1.6600 0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5439 2.0967 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1665 -1.8842 -1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1330 -2.4781 0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7152 -1.2008 1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2462 -2.2258 -0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5942 1.8855 0.5303 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