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
   -0.6213   -0.3211    1.2995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2222   -0.4082    0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5293    0.2383    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759    0.1582   -1.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0646    0.9704    1.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6055   -1.1139   -0.7862 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056   -1.7707   -0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8037   -0.9218   -0.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8439   -0.2465    0.6047 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2498    0.6615    0.6864 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.3826    1.3163    2.0395 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4768   -0.2036    0.5114 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2551    1.8885   -0.4563 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
   -2.7377   -0.3858   -1.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1221    0.6340   -1.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2792    1.7367    1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1630    0.2073    2.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0128    1.4852    1.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6525   -2.6631   -0.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7011   -2.2225   -1.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8633   -0.2226   -1.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7051   -1.5770   -0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9942    2.7603   -0.0974 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