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
   -1.0152    1.1636    0.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4401    0.0242    0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8151    0.1704   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4223   -0.9569   -0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5774    1.4098   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4797   -0.8719    0.0330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7750   -0.5871    0.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9332   -1.2704   -0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0476   -0.7835    0.5904 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0938    0.0316   -0.5018 S   0  0  0  0  0  6  0  0  0  0  0  0
    5.1184   -0.7258   -1.1735 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7393    1.1239    0.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    0.8727   -1.6040 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
   -2.8596   -1.8162   -0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4577   -0.8625   -1.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5156    1.4090   -0.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9481    2.3125   -0.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8738    1.5566    0.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214   -0.9201    1.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9988    0.5115    0.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9876   -1.2242   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8830   -2.3811    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414    1.8137   -1.2481 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