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
    0.7870    0.8085    1.3302 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3178    0.4366    0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5883   -0.3059    0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -0.6988   -0.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2482   -0.6170    1.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6378    0.7662   -0.9053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5648    1.4682   -0.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872    0.8020   -0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0106   -0.4428   -0.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2597   -1.1309    0.1630 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.2799   -1.7108   -0.8008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7773   -2.2091    1.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9822    0.0521    1.1250 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
    4.0833   -1.2418   -0.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7120   -0.4992   -1.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5136   -0.6719    2.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0670    0.0915    1.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6688   -1.6604    1.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4664    2.5072   -0.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855    1.5911   -1.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5909    1.4608   -0.2804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4987    0.7492    0.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7717    0.4552    0.6836 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