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
    1.3711   -1.2516   -1.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5662   -0.1758   -0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8160    0.2064    0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9920    1.3153    0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9549   -0.7020   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4843    0.6876   -0.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7476    0.5338   -0.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5392   -0.7334   -0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708   -0.5213   -0.9305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0891   -0.4996    0.0465 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.9818   -1.1832    1.3442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3729   -0.7638   -0.6874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2821    1.2218    0.4798 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
    3.9577    1.5515    1.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2003    2.0396    0.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233   -1.5929    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9307   -1.1303   -1.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8967   -0.3487    0.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4368    1.3034   -0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9857    0.7933   -1.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6257   -0.8022    0.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0756   -1.6329   -0.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8859    1.6849   -0.3891 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