3,3,6-trimethylhept-5-en-2-yl propanoate

Systemtic Name: 3,3,6-trimethylhept-5-en-2-yl propanoate Openeye Name: 1,2,2,5-tetramethylhex-4-enyl propanoate CAS Name: propanoic acid 3,3,6-trimethylhept-5-en-2-yl ester IUPAC Name: 3,3,6-trimethylhept-5-en-2-yl propanoate Traditional Name: propionic acid 1,2,2,5-tetramethylhex-4-enyl ester Formula: C13H24O2 MolecularWeight: 212.32846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C)C(C)(C)CC=C(C)C

Isomeric SMILES

CCC(=O)OC(C)C(C)(C)CC=C(C)C

InChI

InChI=1S/C13H24O2/c1-7-12(14)15-11(4)13(5,6)9-8-10(2)3/h8,11H,7,9H2,1-6H3