3-(3-diazo-6-phenylazanyl-cyclohexa-1,5-dien-1-yl)propyl dihydrogen phosphate

Systemtic Name: 3-(3-diazo-6-phenylazanyl-cyclohexa-1,5-dien-1-yl)propyl dihydrogen phosphate Openeye Name: 3-(6-anilino-3-diazo-cyclohexa-1,5-dien-1-yl)propyl dihydrogen phosphate CAS Name: 3-(6-anilino-3-diazo-1-cyclohexa-1,5-dienyl)propyl dihydrogen phosphate IUPAC Name: 3-(6-anilino-3-diazocyclohexa-1,5-dien-1-yl)propyl dihydrogen phosphate Traditional Name: 3-(6-anilino-3-diazo-cyclohexa-1,5-dien-1-yl)propyl dihydrogen phosphate Formula: C15H18N3O4P MolecularWeight: 335.294881

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=CC1=[N+]=[N-])CCCOP(=O)(O)O)NC2=CC=CC=C2

Isomeric SMILES

C1C=C(C(=CC1=[N+]=[N-])CCCOP(=O)(O)O)NC2=CC=CC=C2

InChI

InChI=1S/C15H18N3O4P/c16-18-14-8-9-15(17-13-6-2-1-3-7-13)12(11-14)5-4-10-22-23(19,20)21/h1-3,6-7,9,11,17H,4-5,8,10H2,(H2,19,20,21)