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
-1.0736 1.5374 -0.0203 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3719 0.3266 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5539 -0.2995 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8174 -1.5670 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4761 0.4406 1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5324 -0.3797 -1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6278 0.0701 -1.6753 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6924 0.5570 -0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1014 -0.4380 0.1524 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2736 0.0722 1.2105 S 0 0 0 0 0 6 0 0 0 0 0 0
3.2306 -0.7265 2.4878 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0938 1.5350 1.5844 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7677 -0.0854 0.4540 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
-3.6745 -2.0756 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1605 -2.1467 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4540 -0.0806 1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0710 0.4662 2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6997 1.4673 0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0368 -0.7988 -2.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.8304 -2.4256 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5367 0.9286 -1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2539 1.3745 -0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9087 -1.0081 0.1468 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