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
   -0.9242   -0.1328   -1.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4064    0.2379   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7648   -0.1016    0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2789    0.2822    1.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6155   -0.9097   -0.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6365    0.9924    0.7758 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842    1.4013    0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5598    0.1917    0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8781    0.6577    0.1679 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8253   -0.7267    0.0168 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.0889   -1.6747   -0.8806 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589   -1.3055    1.4076 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3297   -0.3744   -0.6265 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
   -2.6457    0.8719    2.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2575    0.0610    1.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1244   -1.6822    0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0700   -1.3232   -1.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4165   -0.2340   -0.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7478    2.0212   -0.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705    1.9747    1.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5106   -0.3788    1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2331   -0.3917   -0.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2538    0.5432   -1.0273 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