2-[3-diazo-6-phenylazanyl-4-(2-phosphonoethyl)cyclohexa-1,5-dien-1-yl]ethylphosphonic acid

Systemtic Name: 2-[3-diazo-6-phenylazanyl-4-(2-phosphonoethyl)cyclohexa-1,5-dien-1-yl]ethylphosphonic acid Openeye Name: 2-[3-anilino-6-diazo-4-(2-phosphonoethyl)cyclohexa-2,4-dien-1-yl]ethylphosphonic acid CAS Name: 2-[3-anilino-6-diazo-4-(2-phosphonoethyl)-1-cyclohexa-2,4-dienyl]ethylphosphonic acid IUPAC Name: 2-[3-anilino-6-diazo-4-(2-phosphonoethyl)cyclohexa-2,4-dien-1-yl]ethylphosphonic acid Traditional Name: 2-[3-anilino-6-diazo-4-(2-phosphonoethyl)cyclohexa-2,4-dien-1-yl]ethylphosphonic acid Formula: C16H21N3O6P2 MolecularWeight: 413.301962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2CCP(=O)(O)O)CCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2CCP(=O)(O)O)CCP(=O)(O)O

InChI

InChI=1S/C16H21N3O6P2/c17-19-16-11-12(6-8-26(20,21)22)15(18-14-4-2-1-3-5-14)10-13(16)7-9-27(23,24)25/h1-5,10-11,13,18H,6-9H2,(H2,20,21,22)(H2,23,24,25)