[(E)-but-2-enyl] (E)-6,6-dimethylhept-2-en-4-ynoate

Systemtic Name: [(E)-but-2-enyl] (E)-6,6-dimethylhept-2-en-4-ynoate Openeye Name: [(E)-but-2-enyl] (E)-6,6-dimethylhept-2-en-4-ynoate CAS Name: (E)-6,6-dimethylhept-2-en-4-ynoic acid [(E)-but-2-enyl] ester IUPAC Name: [(E)-but-2-enyl] (E)-6,6-dimethylhept-2-en-4-ynoate Traditional Name: (E)-6,6-dimethylhept-2-en-4-ynoic acid [(E)-but-2-enyl] ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2/c1-5-6-11-15-12(14)9-7-8-10-13(2,3)4/h5-7,9H,11H2,1-4H3/b6-5+,9-7+