[3-diazo-6-phenylazanyl-4-(phosphonooxymethyl)cyclohexa-1,5-dien-1-yl]methyl dihydrogen phosphate

Systemtic Name: [3-diazo-6-phenylazanyl-4-(phosphonooxymethyl)cyclohexa-1,5-dien-1-yl]methyl dihydrogen phosphate Openeye Name: [3-anilino-6-diazo-4-(phosphonooxymethyl)cyclohexa-2,4-dien-1-yl]methyl dihydrogen phosphate CAS Name: [3-anilino-6-diazo-4-(phosphonooxymethyl)-1-cyclohexa-2,4-dienyl]methyl dihydrogen phosphate IUPAC Name: [3-anilino-6-diazo-4-(phosphonooxymethyl)cyclohexa-2,4-dien-1-yl]methyl dihydrogen phosphate Traditional Name: [3-anilino-6-diazo-4-(phosphonooxymethyl)cyclohexa-2,4-dien-1-yl]methyl dihydrogen phosphate 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=C2COP(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2COP(=O)(O)O)COP(=O)(O)O

InChI

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