Basic information
- CAS
6949-17-3- Standard SMILES
O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1)c1ccc(N=Nc2c(S(=O)(=O)O)cc(O)c3c(NC(=O)c4ccccc4)cc(S(=O)(=O)O)cc23)cc1- InChIKey
BBUKLPKQVDOEOY-UHFFFAOYSA-N- Molecular formula
- C36H26N6O12S3
- Average molar mass
- 830.8 g/mol
- Monoisotopic mass
- 830.07708381
Names & identifiers
- Preferred name
- 2, 5-(Benzoylamino-4-hydroxy-1-[[4-[[[4-[(4-sulfophenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-, trisodium salt
- IUPAC
- 5-benzamido-4-hydroxy-1-[[4-[[4-[(4-sulfophenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
NSC65852NSC-658522, 5-(benzoylamino-4-hydroxy-1- [[4-[[[4-[(4-sulfophenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-, trisodium salt
Database identifiers
- CAS
6949-17-3- PubChem CID
- 415003
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 316 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 11
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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