heptan-2-yl (E)-hept-5-enoate

Systemtic Name: heptan-2-yl (E)-hept-5-enoate Openeye Name: 1-methylhexyl (E)-hept-5-enoate CAS Name: (E)-5-heptenoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl (E)-hept-5-enoate Traditional Name: (E)-hept-5-enoic acid 1-methylhexyl ester Formula: C14H26O2 MolecularWeight: 226.35504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)CCCC=CC

Isomeric SMILES

CCCCCC(C)OC(=O)CCC/C=C/C

InChI

InChI=1S/C14H26O2/c1-4-6-8-10-12-14(15)16-13(3)11-9-7-5-2/h4,6,13H,5,7-12H2,1-3H3/b6-4+