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

Systemtic Name: 8-(4,5-diphenyl-1,2,3-triazol-1-yl)octanoic acid Openeye Name: 8-(4,5-diphenyltriazol-1-yl)octanoic acid CAS Name: 8-(4,5-diphenyl-1-triazolyl)octanoic acid IUPAC Name: 8-(4,5-diphenyltriazol-1-yl)octanoic acid Traditional Name: 8-(4,5-diphenyltriazol-1-yl)caprylic acid Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=N2)CCCCCCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=N2)CCCCCCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2/c26-20(27)16-10-2-1-3-11-17-25-22(19-14-8-5-9-15-19)21(23-24-25)18-12-6-4-7-13-18/h4-9,12-15H,1-3,10-11,16-17H2,(H,26,27)