3-[3-diazo-6-phenylazanyl-4-(3-phosphonopropyl)cyclohexa-1,5-dien-1-yl]propylphosphonic acid

Systemtic Name: 3-[3-diazo-6-phenylazanyl-4-(3-phosphonopropyl)cyclohexa-1,5-dien-1-yl]propylphosphonic acid Openeye Name: 3-[3-anilino-6-diazo-4-(3-phosphonopropyl)cyclohexa-2,4-dien-1-yl]propylphosphonic acid CAS Name: 3-[3-anilino-6-diazo-4-(3-phosphonopropyl)-1-cyclohexa-2,4-dienyl]propylphosphonic acid IUPAC Name: 3-[3-anilino-6-diazo-4-(3-phosphonopropyl)cyclohexa-2,4-dien-1-yl]propylphosphonic acid Traditional Name: 3-[3-anilino-6-diazo-4-(3-phosphonopropyl)cyclohexa-2,4-dien-1-yl]propylphosphonic acid Formula: C18H25N3O6P2 MolecularWeight: 441.355122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2CCCP(=O)(O)O)CCCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2CCCP(=O)(O)O)CCCP(=O)(O)O

InChI

InChI=1S/C18H25N3O6P2/c19-21-18-13-14(6-4-10-28(22,23)24)17(20-16-8-2-1-3-9-16)12-15(18)7-5-11-29(25,26)27/h1-3,8-9,12-13,15,20H,4-7,10-11H2,(H2,22,23,24)(H2,25,26,27)