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

Systemtic Name: [3-diazo-6-phenylazanyl-4-(phosphonooxymethoxy)cyclohexa-1,5-dien-1-yl]oxymethyl dihydrogen phosphate Openeye Name: [3-anilino-6-diazo-4-(phosphonooxymethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl dihydrogen phosphate CAS Name: [3-anilino-6-diazo-4-(phosphonooxymethoxy)-1-cyclohexa-2,4-dienyl]oxymethyl dihydrogen phosphate IUPAC Name: [3-anilino-6-diazo-4-(phosphonooxymethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl dihydrogen phosphate Traditional Name: [3-anilino-6-diazo-4-(phosphonooxymethoxy)cyclohexa-2,4-dien-1-yl]oxymethyl dihydrogen phosphate Formula: C14H17N3O10P2 MolecularWeight: 449.246402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2OCOP(=O)(O)O)OCOP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2OCOP(=O)(O)O)OCOP(=O)(O)O

InChI

InChI=1S/C14H17N3O10P2/c15-17-12-7-13(24-8-26-28(18,19)20)11(16-10-4-2-1-3-5-10)6-14(12)25-9-27-29(21,22)23/h1-7,14,16H,8-9H2,(H2,18,19,20)(H2,21,22,23)