Basic information
- CAS
6330-93-4- Standard SMILES
O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1)c1ccc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)cc1- InChIKey
CWIUNTCZDRANSF-UHFFFAOYSA-N- Molecular formula
- C29H21N5O8S2
- Average molar mass
- 631.6 g/mol
- Monoisotopic mass
- 631.08315499
Names & identifiers
- Preferred name
- 5-Hydroxy-6-((E)-(4-(((4-((E)-(4-sulfophenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)naphthalene-1-sulfonic acid
- IUPAC
- 5-hydroxy-6-[[4-[[4-[(4-sulfophenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Names & synonyms
NSC456136330-93-4NSC 45613UNII-M5ZTJ77Z4JM5ZTJ77Z4J5-Hydroxy-6-((E)-(4-(((4-((E)-(4-sulfophenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)naphthalene-1-sulfonic acidNSC-456135-Hydroxy-6-((E)-{4-[({4-[(E)-(4-sulfophenyl)diazenyl]phenyl}amino)carbonyl]phenyl}diazenyl)naphthalene-1-sulfonic acid5-hydroxy-6-[(E)-[4-[[4-[(E)-(4-sulfophenyl)azo]phenyl]carbamoyl]phenyl]azo]naphthalene-1-sulfonic acid
Database identifiers
- CAS
6330-93-4- PubChem CID
- 413240
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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