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
   -0.8937   -0.9178    1.1803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4468   -0.1218    0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7919   -0.4104   -0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3957   -1.5080    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4482    0.5053   -1.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7585    1.0170    0.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5246    1.3857    0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5513    0.3805    0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7835    0.8186    0.5829 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0006   -0.2500    0.2068 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.8274   -1.4702    1.0805 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3127    0.4193    0.4939 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9339   -0.6979   -1.4190 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
   -4.3735   -1.7287   -0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9402   -2.1974    0.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0780    1.5382   -0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5489    0.5006   -1.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1867    0.3327   -2.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358    1.5412    1.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343    2.3960    0.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6327    0.3124   -1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2871   -0.6195    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7384   -1.2257   -1.6297 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