9-(5-oxidanylidene-3,4-diphenyl-1,2,4-triazol-1-yl)nonanoic acid

Systemtic Name: 9-(5-oxidanylidene-3,4-diphenyl-1,2,4-triazol-1-yl)nonanoic acid Openeye Name: 9-(5-oxo-3,4-diphenyl-1,2,4-triazol-1-yl)nonanoic acid CAS Name: 9-(5-oxo-3,4-diphenyl-1,2,4-triazol-1-yl)nonanoic acid IUPAC Name: 9-(5-oxo-3,4-diphenyl-1,2,4-triazol-1-yl)nonanoic acid Traditional Name: 9-(5-keto-3,4-diphenyl-1,2,4-triazol-1-yl)pelargonic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c27-21(28)17-11-3-1-2-4-12-18-25-23(29)26(20-15-9-6-10-16-20)22(24-25)19-13-7-5-8-14-19/h5-10,13-16H,1-4,11-12,17-18H2,(H,27,28)