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
-0.6213 -0.3211 1.2995 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2222 -0.4082 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5293 0.2383 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1759 0.1582 -1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0646 0.9704 1.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6055 -1.1139 -0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6056 -1.7707 -0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8037 -0.9218 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8439 -0.2465 0.6047 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2498 0.6615 0.6864 S 0 0 0 0 0 6 0 0 0 0 0 0
3.3826 1.3163 2.0395 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4768 -0.2036 0.5114 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2551 1.8885 -0.4563 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
-2.7377 -0.3858 -1.9198 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1221 0.6340 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2792 1.7367 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1630 0.2073 2.0342 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0128 1.4852 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6525 -2.6631 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7011 -2.2225 -1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8633 -0.2226 -1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7051 -1.5770 -0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9942 2.7603 -0.0974 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