2, 3-Hydroxy-4-[[4-[[4-[4-[(2-hydroxy-3,6-disulfo-1-naphthyl)azo]benzamido]phenyl] thio]phenyl]azo]-, tetrasodium salt
Basic information
- CAS
7401-46-9- Standard SMILES
O=C(Nc1ccc(Sc2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1)c1ccc(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1- InChIKey
PEIOJNXAKANCAD-UHFFFAOYSA-N- Molecular formula
- C39H27N5O15S5
- Average molar mass
- 966 g/mol
- Monoisotopic mass
- 965.01072104
Names & identifiers
- Preferred name
- 2, 3-Hydroxy-4-[[4-[[4-[4-[(2-hydroxy-3,6-disulfo-1-naphthyl)azo]benzamido]phenyl] thio]phenyl]azo]-, tetrasodium salt
- IUPAC
- 3-hydroxy-4-[[4-[[4-[4-[(2-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]phenyl]sulfanylphenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
CHEMBL1975972NSC65860NSC-658602, 3-hydroxy-4-[[4-[[4-[4- [(2-hydroxy-3,6-disulfo-1-naphthyl)azo]benzamido]phenyl] thio]phenyl]azo]-, tetrasodium salt
Database identifiers
- CAS
7401-46-9- PubChem CID
- 415011
- ChEMBL
CHEMBL1975972
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 395 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 12
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 2,140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…