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
-2.2648 -1.6735 0.6838 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8086 -0.5417 0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7419 0.4488 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3507 1.6690 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1800 0.1267 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4765 -0.3155 0.5748 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4398 -1.2575 1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8326 -0.7328 1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3252 -0.3385 -0.0783 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8920 0.2251 0.1987 S 0 0 0 0 0 6 0 0 0 0 0 0
4.8912 -0.8945 0.1148 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9724 0.8749 1.5480 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3140 1.3789 -0.9678 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
-1.3184 1.9590 -0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0280 2.4111 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4974 -0.5333 0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2506 -0.5168 -1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8065 1.0212 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1496 -1.6679 2.0586 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4470 -2.1148 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4887 -1.5675 1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9370 0.0764 1.9247 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0339 1.9631 -0.6229 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