[2-[(4-phenyldiazenylphenyl)amino]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[(4-phenyldiazenylphenyl)amino]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(4-phenylazoanilino)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(4-phenyldiazenylanilino)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(4-phenyldiazenylanilino)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4-phenylazoanilino)-1-phosphono-ethyl]phosphonic acid Formula: C14H17N3O6P2 MolecularWeight: 385.248802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6P2/c18-24(19,20)14(25(21,22)23)10-15-11-6-8-13(9-7-11)17-16-12-4-2-1-3-5-12/h1-9,14-15H,10H2,(H2,18,19,20)(H2,21,22,23)