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

Systemtic Name: 3-[3-diazo-6-phenylazanyl-4-(3-phosphonopropoxy)cyclohexa-1,5-dien-1-yl]oxypropylphosphonic acid Openeye Name: 3-[3-anilino-6-diazo-4-(3-phosphonopropoxy)cyclohexa-2,4-dien-1-yl]oxypropylphosphonic acid CAS Name: 3-[[3-anilino-6-diazo-4-(3-phosphonopropoxy)-1-cyclohexa-2,4-dienyl]oxy]propylphosphonic acid IUPAC Name: 3-[3-anilino-6-diazo-4-(3-phosphonopropoxy)cyclohexa-2,4-dien-1-yl]oxypropylphosphonic acid Traditional Name: 3-[3-anilino-6-diazo-4-(3-phosphonopropoxy)cyclohexa-2,4-dien-1-yl]oxypropylphosphonic acid 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=C2OCCCP(=O)(O)O)OCCCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(C(=[N+]=[N-])C=C2OCCCP(=O)(O)O)OCCCP(=O)(O)O

InChI

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