2-azanyl-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid Openeye Name: 2-amino-5-(3-phosphonophenyl)azo-benzenesulfonic acid CAS Name: 2-amino-5-(3-phosphonophenyl)azobenzenesulfonic acid IUPAC Name: 2-amino-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid Traditional Name: 2-amino-5-(3-phosphonophenyl)azo-besylic acid Formula: C12H12N3O6PS MolecularWeight: 357.278941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)P(=O)(O)O)N=NC2=CC(=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)P(=O)(O)O)N=NC2=CC(=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C12H12N3O6PS/c13-11-5-4-9(7-12(11)23(19,20)21)15-14-8-2-1-3-10(6-8)22(16,17)18/h1-7H,13H2,(H2,16,17,18)(H,19,20,21)