[3-diazo-6-phenylazanyl-4-(phosphonomethoxy)cyclohexa-1,5-dien-1-yl]oxymethylphosphonic acid

Systemtic Name: [3-diazo-6-phenylazanyl-4-(phosphonomethoxy)cyclohexa-1,5-dien-1-yl]oxymethylphosphonic acid Openeye Name: [3-anilino-6-diazo-4-(phosphonomethoxy)cyclohexa-2,4-dien-1-yl]oxymethylphosphonic acid CAS Name: [3-anilino-6-diazo-4-(phosphonomethoxy)-1-cyclohexa-2,4-dienyl]oxymethylphosphonic acid IUPAC Name: [3-anilino-6-diazo-4-(phosphonomethoxy)cyclohexa-2,4-dien-1-yl]oxymethylphosphonic acid Traditional Name: [3-anilino-6-diazo-4-(phosphonomethoxy)cyclohexa-2,4-dien-1-yl]oxymethylphosphonic acid Formula: C14H17N3O8P2 MolecularWeight: 417.247602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2OCP(=O)(O)O)OCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2OCP(=O)(O)O)OCP(=O)(O)O

InChI

InChI=1S/C14H17N3O8P2/c15-17-12-7-13(24-8-26(18,19)20)11(16-10-4-2-1-3-5-10)6-14(12)25-9-27(21,22)23/h1-7,14,16H,8-9H2,(H2,18,19,20)(H2,21,22,23)