Basic information
- CAS
27959-50-8- Standard SMILES
COc1ccc(N=Nc2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1- InChIKey
VPAQKBFPDJQAMH-UHFFFAOYSA-N- Molecular formula
- C17H14N2O5S
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.06234272
Names & identifiers
- Preferred name
- 5-[2-(4-Methoxyphenyl)hydrazinylidene]-6-oxo-5,6-dihydronaphthalene-2-sulfonic acid
- IUPAC
- 6-hydroxy-5-[(4-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
27959-50-8SCHEMBL1096353SCHEMBL1096355DTXSID707827855-[2-(4-Methoxyphenyl)hydrazinylidene]-6-oxo-5,6-dihydronaphthalene-2-sulfonic acid
Database identifiers
- CAS
27959-50-8- PubChem CID
- 34082
- DTXSID
DTXSID70782785- Nikkaji
- J936.018B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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