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

Systemtic Name: 3-[3-diazo-6-phenylazanyl-4-(3-phosphonooxypropyl)cyclohexa-1,5-dien-1-yl]propyl dihydrogen phosphate Openeye Name: 3-[3-anilino-6-diazo-4-(3-phosphonooxypropyl)cyclohexa-2,4-dien-1-yl]propyl dihydrogen phosphate CAS Name: 3-[3-anilino-6-diazo-4-(3-phosphonooxypropyl)-1-cyclohexa-2,4-dienyl]propyl dihydrogen phosphate IUPAC Name: 3-[3-anilino-6-diazo-4-(3-phosphonooxypropyl)cyclohexa-2,4-dien-1-yl]propyl dihydrogen phosphate Traditional Name: 3-[3-anilino-6-diazo-4-(3-phosphonooxypropyl)cyclohexa-2,4-dien-1-yl]propyl dihydrogen phosphate Formula: C18H25N3O8P2 MolecularWeight: 473.353922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2CCCOP(=O)(O)O)CCCOP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2CCCOP(=O)(O)O)CCCOP(=O)(O)O

InChI

InChI=1S/C18H25N3O8P2/c19-21-18-13-14(6-4-10-28-30(22,23)24)17(20-16-8-2-1-3-9-16)12-15(18)7-5-11-29-31(25,26)27/h1-3,8-9,12-13,15,20H,4-7,10-11H2,(H2,22,23,24)(H2,25,26,27)