(E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynoate

Systemtic Name: (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynoate Openeye Name: (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynoate CAS Name: (E)-5-(2,6,6-trimethyl-1-cyclohexenyl)pent-4-en-2-ynoate IUPAC Name: (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynoate Traditional Name: (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynoate Formula: C14H17O2- MolecularWeight: 217.28358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC#CC(=O)[O-]

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C#CC(=O)[O-]

InChI

InChI=1S/C14H18O2/c1-11-7-6-10-14(2,3)12(11)8-4-5-9-13(15)16/h4,8H,6-7,10H2,1-3H3,(H,15,16)/p-1/b8-4+