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
    0.7917    0.2694    1.4233 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170   -0.1614    0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583    0.3009    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4165   -0.1528   -0.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3775    1.2807    1.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7686   -1.0830   -0.3767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235   -1.5635   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5804   -0.4666   -0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8036   -1.1013    0.0237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0895   -0.0466    0.0391 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.9604   -0.3891    1.2294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9100   -0.2697   -1.2126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6173    1.5553    0.1470 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
    3.0248   -0.8671   -1.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4314    0.1938   -1.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3714    0.8515    2.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7853    2.2288    1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4372    1.4906    0.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6553   -2.0894    0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7273   -2.3290   -0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220    0.2017    0.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560    0.1231   -1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7342    2.0238   -0.7325 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