Basic information
- CAS
130798-66-2- Standard SMILES
O=S(=O)(O)c1cc(NS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)Nc4cc(S(=O)(=O)O)c5cccc(S(=O)(=O)O)c5c4)cc3)cc2)cc2c(S(=O)(=O)O)cccc12- InChIKey
ZSRPRMIEOVRYCV-UHFFFAOYSA-N- Molecular formula
- C32H24N2O16S6
- Average molar mass
- 884.9 g/mol
- Monoisotopic mass
- 883.94500972
Names & identifiers
- Preferred name
- 1,5-Naphthalenedisulfonic acid, 3,3'-((1,1'-biphenyl)-4,4'-diylbis(sulfonylimino))bis-
- IUPAC
- 3-[[4-[4-[(4,8-disulfonaphthalen-2-yl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,5-disulfonic acid
Names & synonyms
130798-66-2BiPHdiNaph-4(SO3Na)1,5-Naphthalenedisulfonic acid, 3,3'-((1,1'-biphenyl)-4,4'-diylbis(sulfonylimino))bis-3,3'-(4,4'-Biphenyldiylbis(sulfonylamino))bis(1,5-naphthalenedisulfonic acid)1,5-Naphthalenedisulfonic acid, 3,3'-[[1,1'-biphenyl]-4,4'-diylbis(sulfonylimino)]bis-CHEMBL307574DTXSID70156745N,N'-bis[4,8-Disulfo]naphth-2-yl-4,4'-biphenylsulfonamide3,3'-[[1,1'-Biphenyl]-4,4'-diylbis(sulfonylazanediyl)]di(naphthalene-1,5-disulfonic acid)130798-67-33-[[4-[4-[(4,8-disulfo-2-naphthyl)sulfamoyl]phenyl]phenyl]sulfonylamino]naphthalene-1,5-disulfonic acid
Database identifiers
- CAS
130798-66-2- PubChem CID
- 452863
- DTXSID
DTXSID70156745- ChEMBL
CHEMBL307574- Nikkaji
- J360.779H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 360 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,930
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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