Basic information
- CAS
7354-85-0- Standard SMILES
O=C(Nc1ccc(Sc2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1)c1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)cc1- InChIKey
RXJXYDYQOHZFJG-UHFFFAOYSA-N- Molecular formula
- C39H27N5O12S4
- Average molar mass
- 885.9 g/mol
- Monoisotopic mass
- 885.05390601
Names & identifiers
- Preferred name
- 3-Hydroxy-4-((4-((4-((4-((1-hydroxy-4-sulfo-2-naphthyl)diazenyl)benzoyl)amino)phenyl)thio)phenyl)diazenyl)-2,7-naphthalenedisulfonic acid
- IUPAC
- 3-hydroxy-4-[[4-[4-[[4-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]benzoyl]amino]phenyl]sulfanylphenyl]diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
7354-85-0NSC65858NSC 658583-Hydroxy-4-((4-((4-((4-((1-hydroxy-4-sulfo-2-naphthyl)diazenyl)benzoyl)amino)phenyl)thio)phenyl)diazenyl)-2,7-naphthalenedisulfonic acidNSC-658583-hydroxy-4-[(E)-[4-[4-[[4-[(E)-(1-hydroxy-4-sulfo-2-naphthyl)azo]benzoyl]amino]phenyl]sulfanylphenyl]azo]naphthalene-2,7-disulfonic acid
Database identifiers
- CAS
7354-85-0- PubChem CID
- 415009
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 333 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 11
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,870
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…