5-[(4-azanyl-2,5-dimethoxy-phenyl)diazenyl]-2-[(3-phosphonophenyl)diazenyl]benzoic acid

Systemtic Name: 5-[(4-azanyl-2,5-dimethoxy-phenyl)diazenyl]-2-[(3-phosphonophenyl)diazenyl]benzoic acid Openeye Name: 5-(4-amino-2,5-dimethoxy-phenyl)azo-2-(3-phosphonophenyl)azo-benzoic acid CAS Name: 5-(4-amino-2,5-dimethoxyphenyl)azo-2-(3-phosphonophenyl)azobenzoic acid IUPAC Name: 5-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-2-[(3-phosphonophenyl)diazenyl]benzoic acid Traditional Name: 5-(4-amino-2,5-dimethoxy-phenyl)azo-2-(3-phosphonophenyl)azo-benzoic acid Formula: C21H20N5O7P MolecularWeight: 485.386561

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)N=NC3=CC(=CC=C3)P(=O)(O)O)C(=O)O)OC)N

Isomeric SMILES

COC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)N=NC3=CC(=CC=C3)P(=O)(O)O)C(=O)O)OC)N

InChI

InChI=1S/C21H20N5O7P/c1-32-19-11-18(20(33-2)10-16(19)22)26-24-13-6-7-17(15(9-13)21(27)28)25-23-12-4-3-5-14(8-12)34(29,30)31/h3-11H,22H2,1-2H3,(H,27,28)(H2,29,30,31)