Basic information
- CAS
6283-28-9- Standard SMILES
Cc1ccc(N=Nc2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1- InChIKey
SMQYMAVYZRHNIE-UHFFFAOYSA-N- Molecular formula
- C17H14N2O4S
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.06742811
Names & identifiers
- Preferred name
- 6-Hydroxy-5-((4-methylphenyl)diazenyl)-2-naphthalenesulfonic acid
- IUPAC
- 6-hydroxy-5-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
6283-28-9NSC7814NSC-7814NCIStruc1_001092NCIStruc2_000754SCHEMBL1096315SCHEMBL1096317CHEMBL1554854CHEMBL2008374SCHEMBL15598887DTXSID10422532NCI7814
Show more names
CCG-36887NCGC00013087NCGC00013087-02NCGC00096210-01NCI60_020379NCI60_0417246-hydroxy-5-((4-methylphenyl)diazenyl)-2-naphthalenesulfonic acid5-[2-(4-Methylphenyl)hydrazinylidene]-6-oxo-5,6-dihydronaphthalene-2-sulfonic acid
Database identifiers
- CAS
6283-28-9- PubChem CID
- 22145
- DTXSID
DTXSID10422532- ChEMBL
CHEMBL1554854、CHEMBL2008374- Nikkaji
- J936.017D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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