5-[[4-[4-[(2-Amino-6-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Basic information
- CAS
6528-38-7- Standard SMILES
Nc1ccc2cc(S(=O)(=O)O)ccc2c1N=Nc1ccc(-c2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)cc1- InChIKey
YLIHCWFSBODMMH-UHFFFAOYSA-N- Molecular formula
- C29H21N5O6S
- Average molar mass
- 567.6 g/mol
- Monoisotopic mass
- 567.12125458
Names & identifiers
- Preferred name
- 5-[[4-[4-[(2-Amino-6-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
- IUPAC
- 5-[[4-[4-[(2-amino-6-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Names & synonyms
NSC82394NSC-82394C.I. 22165
Database identifiers
- CAS
6528-38-7- PubChem CID
- 416795
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,050
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Compound notes
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