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
    0.8108   -1.0866    0.9572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4075   -0.3472    0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7416    0.1750    0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3907    0.9460   -0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3560   -0.1845    1.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7809   -0.0460   -1.0541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4981   -0.5316   -1.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722   -0.0871   -0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7661   -0.6436   -0.8850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0669   -0.2194    0.1093 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.7970   -0.6356    1.5384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2635   -0.9637   -0.4242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4029    1.4156    0.0022 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
    4.3674    1.3140   -0.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9415    1.2103   -1.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0854    0.5708    2.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8524   -1.1804    1.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414   -0.3604    2.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784   -0.1404   -2.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -1.6533   -1.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3927   -0.5283    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    0.9988   -0.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6068    1.9777   -0.0911 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