(E)-2-ethyl-3,7,11-trimethyl-6-(1H-1,2,4-triazol-5-yl)tridec-10-enoic acid

Systemtic Name: (E)-2-ethyl-3,7,11-trimethyl-6-(1H-1,2,4-triazol-5-yl)tridec-10-enoic acid Openeye Name: (E)-2-ethyl-3,7,11-trimethyl-6-(1H-1,2,4-triazol-5-yl)tridec-10-enoic acid CAS Name: (E)-2-ethyl-3,7,11-trimethyl-6-(1H-1,2,4-triazol-5-yl)-10-tridecenoic acid IUPAC Name: (E)-2-ethyl-3,7,11-trimethyl-6-(1H-1,2,4-triazol-5-yl)tridec-10-enoic acid Traditional Name: (E)-2-ethyl-3,7,11-trimethyl-6-(1H-1,2,4-triazol-5-yl)tridec-10-enoic acid Formula: C20H35N3O2 MolecularWeight: 349.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CCC(C1=NC=NN1)C(C)CCC=C(C)CC)C(=O)O

Isomeric SMILES

CCC(C(C)CCC(C1=NC=NN1)C(C)CC/C=C(\C)/CC)C(=O)O

InChI

InChI=1S/C20H35N3O2/c1-6-14(3)9-8-10-15(4)18(19-21-13-22-23-19)12-11-16(5)17(7-2)20(24)25/h9,13,15-18H,6-8,10-12H2,1-5H3,(H,24,25)(H,21,22,23)/b14-9+