1,3,6-Naphthalenetrisulfonic acid, 8,8'-((1,1'-biphenyl)-4,4'-diylbis(sulfonylimino))bis-
Basic information
- CAS
144790-67-0- Standard SMILES
O=S(=O)(O)c1cc(NS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)Nc4cc(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)cc3)cc2)c2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1- InChIKey
OOTNQRLFHDJNNE-UHFFFAOYSA-N- Molecular formula
- C32H24N2O22S8
- Average molar mass
- 1,045.1 g/mol
- Monoisotopic mass
- 1,043.8586398
Names & identifiers
- Preferred name
- 1,3,6-Naphthalenetrisulfonic acid, 8,8'-((1,1'-biphenyl)-4,4'-diylbis(sulfonylimino))bis-
- IUPAC
- 8-[[4-[4-[(3,6,8-trisulfonaphthalen-1-yl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid
- English name
- 8,8'-((1,1'-Biphenyl)-4,4'-diylbis(sulfonylimino))bis-1,3,6-naphthalenetrisulfonic acid
- Molecular formula
- C32H24N2O22S8
- Molecular weight
- 1045.05
Names & synonyms
144790-67-04,4'Biphenbis-1,3,6triSO3H-Naphth-NHSO21,3,6-Naphthalenetrisulfonic acid, 8,8'-((1,1'-biphenyl)-4,4'-diylbis(sulfonylimino))bis-1,3,6-Naphthalenetrisulfonic acid, 8,8'-[[1,1'-biphenyl]-4,4'-diylbis(sulfonylimino)]bis-8-[[4-[4-[(3,6,8-trisulfonaphthalen-1-yl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acidCHEMBL356078DTXSID301628078,8/'-((1,1/'-Biphenyl)-4,4/'-diylbis(sulfonylimino))bis-1,3,6-naphthalenetrisulfonic acid8,8'-[[1,1'-Biphenyl]-4,4'-diylbis(sulfonylazanediyl)]di(naphthalene-1,3,6-trisulfonic acid)8-[[4-[4-[(3,6,8-trisulfo-1-naphthyl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid8,8'-((1,1'-Biphenyl)-4,4'-diylbis(sulfonylimino))bis-1,3,6-naphthalenetrisulfonic acid1,3,6-Naphthalenetrisulfonic acid, 8,8'-[[1,1'-biphenyl]-4,4'-diylbis(sulfonylimino)]bis- (9CI)
Database identifiers
- CAS
144790-67-0
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 486 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 13
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 2,450
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