(Z)-6-methyl-7-(5-octyl-1,2,4-triazol-1-yl)hept-5-enoic acid

Systemtic Name: (Z)-6-methyl-7-(5-octyl-1,2,4-triazol-1-yl)hept-5-enoic acid Openeye Name: (Z)-6-methyl-7-(5-octyl-1,2,4-triazol-1-yl)hept-5-enoic acid CAS Name: (Z)-6-methyl-7-(5-octyl-1,2,4-triazol-1-yl)-5-heptenoic acid IUPAC Name: (Z)-6-methyl-7-(5-octyl-1,2,4-triazol-1-yl)hept-5-enoic acid Traditional Name: (Z)-6-methyl-7-(5-octyl-1,2,4-triazol-1-yl)hept-5-enoic acid Formula: C18H31N3O2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=NN1CC(=CCCCC(=O)O)C

Isomeric SMILES

CCCCCCCCC1=NC=NN1C/C(=C\CCCC(=O)O)/C

InChI

InChI=1S/C18H31N3O2/c1-3-4-5-6-7-8-12-17-19-15-20-21(17)14-16(2)11-9-10-13-18(22)23/h11,15H,3-10,12-14H2,1-2H3,(H,22,23)/b16-11-