Basic information
- CAS
118040-35-0- Standard SMILES
Cc1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)cc1S(=O)(=O)O- InChIKey
ZGDOXNSJDDJHRV-UHFFFAOYSA-N- Molecular formula
- C18H14N2O6S
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.05725734
Names & identifiers
- Preferred name
- 3-Hydroxy-4-[2-(4-methyl-3-sulfophenyl)diazenyl]-2-naphthalenecarboxylic acid
- IUPAC
- 3-hydroxy-4-[(4-methyl-3-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid
Names & synonyms
SCHEMBL9029942SCHEMBL12955195DTXSID8013588883-Hydroxy-4-[2-(4-methyl-3-sulfophenyl)diazenyl]-2-naphthalenecarboxylic acid118040-35-0
Database identifiers
- CAS
118040-35-0- PubChem CID
- 80682
- DTXSID
DTXSID801358888- Nikkaji
- J32.177J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 676
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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