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
-0.7289 -1.1533 -1.0136 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3804 -0.2465 -0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7195 -0.5341 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2254 -1.7293 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5279 0.5074 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7959 0.9979 -0.3297 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4738 1.3494 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5923 0.5318 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7885 0.9850 -0.7535 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1117 0.1529 -0.1497 S 0 0 0 0 0 6 0 0 0 0 0 0
5.3662 0.9727 -0.2239 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8937 -0.1598 1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3424 -1.3086 -0.9444 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
-2.6875 -2.5393 -0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2052 -1.9818 0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9022 1.3649 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3625 0.8639 0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9888 0.0711 1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6318 2.4278 -0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5360 1.3523 -1.9132 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4647 -0.5121 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5941 0.5866 0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7291 -1.9990 -0.5779 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