Basic information
- CAS
6949-20-8- Standard SMILES
Cc1cc(N=Nc2ccc(Sc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)c(N)c(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2)c1N- InChIKey
JUBYYWGZHFFWRG-UHFFFAOYSA-N- Molecular formula
- C38H30N10O6S2
- Average molar mass
- 786.8 g/mol
- Monoisotopic mass
- 786.17912106
Names & identifiers
- Preferred name
- 5-((4-((4-((2,4-Diamino-5-methyl-3-((4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)phenyl)diazenyl)phenyl)thio)phenyl)diazenyl)-2-hydroxybenzoic acid
- IUPAC
- 5-[[4-[4-[[2,4-diamino-5-methyl-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]sulfanylphenyl]diazenyl]-2-hydroxybenzoic acid
Names & synonyms
NSC 658565-((4-((4-((2,4-Diamino-5-methyl-3-((4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)phenyl)diazenyl)phenyl)thio)phenyl)diazenyl)-2-hydroxybenzoic acid6949-20-8NSC658565-[(E)-[4-[4-[(E)-[2,4-diamino-5-methyl-3-[(E)-[4-[(E)-(4-sulfophenyl)azo]phenyl]azo]phenyl]azo]phenyl]sulfanylphenyl]azo]-2-hydroxy-benzoic acid
Database identifiers
- CAS
6949-20-8- PubChem CID
- 415007
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 297 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 12
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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