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
-1.2828 1.8100 -0.1631 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5619 0.5989 -0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8635 -0.0375 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9652 -1.3328 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1092 0.7915 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4658 -0.2565 0.2648 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7520 0.2001 0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9069 0.6338 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4382 -0.5189 -0.9281 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1133 -0.4341 -0.4559 S 0 0 0 0 0 6 0 0 0 0 0 0
4.5118 0.9613 -0.2676 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9708 -1.2509 -1.2703 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0396 -1.0974 1.1662 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
-2.0649 -1.9621 0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8835 -1.8741 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2499 1.2018 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8760 1.6140 -0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9855 0.2157 -0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2172 -0.7605 1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7367 0.8833 1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4980 1.3209 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 1.1874 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4244 -1.8938 1.1174 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