2-[4-(4-octylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-octylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoic acid Openeye Name: 2-[4-(4-octylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetic acid CAS Name: 2-[4-(4-octylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetic acid IUPAC Name: 2-[4-(4-octylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetic acid Traditional Name: 2-[5-keto-4-(4-octylphenyl)-1,2,4-triazol-1-yl]acetic acid Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N2C=NN(C2=O)CC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N2C=NN(C2=O)CC(=O)O

InChI

InChI=1S/C18H25N3O3/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-14-19-21(18(20)24)13-17(22)23/h9-12,14H,2-8,13H2,1H3,(H,22,23)