Basic information
- CAS
65104-29-2- Standard SMILES
O=C(Nc1ccc(N=Nc2cccc(S(=O)(=O)O)c2)cc1)Nc1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1- InChIKey
ICMQGTVSMIBIDB-UHFFFAOYSA-N- Molecular formula
- C26H20N6O7S
- Average molar mass
- 560.5 g/mol
- Monoisotopic mass
- 560.11141817
Names & identifiers
- Preferred name
- 2-Hydroxy-5-(2-(4-((((4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)benzoic acid
- IUPAC
- 2-hydroxy-5-[[4-[[4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzoic acid
Names & synonyms
65104-29-22-Hydroxy-5-(2-(4-((((4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)benzoic acid2-Hydroxy-5-[2-[4-[[[[4-[2-(3-sulfophenyl)diazenyl]phenyl]amino]carbonyl]amino]phenyl]diazenyl]benzoic acidRefChem:261731Benzoic acid, 2-hydroxy-5-((4-((((4-((3-sulfophenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)-Benzoic acid, 2-hydroxy-5-[[4-[[[[4-[(3-sulfophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-DTXSID3070206ICMQGTVSMIBIDB-UHFFFAOYSA-NBenzoic acid, 2-hydroxy-5-(2-(4-((((4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-2-Hydroxy-5-({4-[({4-[(3-sulfophenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl)benzoic acid
Database identifiers
- CAS
65104-29-2- PubChem CID
- 103181
- DTXSID
DTXSID3070206- Nikkaji
- J453.304F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-hydroxy-5-[2-[4-[[[[4-[2-(3-sulfophenyl)diazenyl]phenyl]amino]carbonyl]amino]phenyl]diazenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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