8-(5-oxidanylidene-3,4-diphenyl-1,2,4-triazol-1-yl)octanoic acid

Systemtic Name: 8-(5-oxidanylidene-3,4-diphenyl-1,2,4-triazol-1-yl)octanoic acid Openeye Name: 8-(5-oxo-3,4-diphenyl-1,2,4-triazol-1-yl)octanoic acid CAS Name: 8-(5-oxo-3,4-diphenyl-1,2,4-triazol-1-yl)octanoic acid IUPAC Name: 8-(5-oxo-3,4-diphenyl-1,2,4-triazol-1-yl)octanoic acid Traditional Name: 8-(5-keto-3,4-diphenyl-1,2,4-triazol-1-yl)caprylic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)N2C3=CC=CC=C3)CCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)N2C3=CC=CC=C3)CCCCCCCC(=O)O

InChI

InChI=1S/C22H25N3O3/c26-20(27)16-10-2-1-3-11-17-24-22(28)25(19-14-8-5-9-15-19)21(23-24)18-12-6-4-7-13-18/h4-9,12-15H,1-3,10-11,16-17H2,(H,26,27)