ethyl (E)-2,6,6-trimethylhept-2-en-4-ynoate

Systemtic Name: ethyl (E)-2,6,6-trimethylhept-2-en-4-ynoate Openeye Name: ethyl (E)-2,6,6-trimethylhept-2-en-4-ynoate CAS Name: (E)-2,6,6-trimethylhept-2-en-4-ynoic acid ethyl ester IUPAC Name: ethyl (E)-2,6,6-trimethylhept-2-en-4-ynoate Traditional Name: (E)-2,6,6-trimethylhept-2-en-4-ynoic acid ethyl ester Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC#CC(C)(C)C)C

Isomeric SMILES

CCOC(=O)/C(=C/C#CC(C)(C)C)/C

InChI

InChI=1S/C12H18O2/c1-6-14-11(13)10(2)8-7-9-12(3,4)5/h8H,6H2,1-5H3/b10-8+