Basic information
- CAS
25255-06-5- Standard SMILES
Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3ccc(-c4ccc(N=Nc5ccc(O)c(C(=O)O)c5)cc4)cc3)c(O)c2c1- InChIKey
IRGWFPQSVKCDEC-UHFFFAOYSA-N- Molecular formula
- C29H21N5O7S
- Average molar mass
- 583.6 g/mol
- Monoisotopic mass
- 583.1161692
Names & identifiers
- Preferred name
- 5-({4'-[(7-Amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl][1,1'-biphenyl]-4-yl}diazenyl)-2-hydroxybenzoic acid
- IUPAC
- 5-[[4-[4-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Names & synonyms
25255-06-55-({4'-[(7-Amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl][1,1'-biphenyl]-4-yl}diazenyl)-2-hydroxybenzoic acidSCHEMBL11694403DTXSID00859732
Database identifiers
- CAS
25255-06-5- PubChem CID
- 17068
- DTXSID
DTXSID00859732- EC Number
- 607-667-2
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…