Basic information
- Standard SMILES
COc1cc(S(=O)(=O)O)c(C)cc1N=Nc1c(O)c(C(=O)O)cc2ccccc12- InChIKey
ZDIYWGXDLFPGIK-UHFFFAOYSA-N- Molecular formula
- C19H16N2O7S
- Average molar mass
- 416.4 g/mol
Names & identifiers
- Preferred name
- 4-[2-(2-Methoxy-5-methyl-4-sulfophenyl)hydrazinylidene]-3-oxo-3,4-dihydronaphthalene-2-carboxylic acid
- IUPAC
- 3-hydroxy-4-[(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid
- English name
- C. I. Pigment Red 56
- Molecular formula
- C19H16N2O7S
- Molecular weight
- 416.41
Names & synonyms
25310-96-7SCHEMBL21436620DTXSID607826184-[2-(2-Methoxy-5-methyl-4-sulfophenyl)hydrazinylidene]-3-oxo-3,4-dihydronaphthalene-2-carboxylic acidC.I.15870Pigment Red 56Permanent Bordeaux RC. I. Pigment Red 564-[(2-methoxy-5-methyl-4-sulfophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylic acid2-Naphthalenecarboxylic acid, 3-hydroxy-4-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-3-Hydroxy-4-[(2-methoxy-5-methyl-4-sulfophenyl)azo]-2-naphthalenecarboxylic acid disodium salt
Database identifiers
- CAS
25310-96-7- PubChem CID
- 136270343
- DTXSID
DTXSID60782618
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 723
Physicochemical properties
- Density
- 1.507 · 1.507±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.975 · -0.975±0.50(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
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Linked notes
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