3-ethynyl-2,4,4-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-ethynyl-2,4,4-trimethyl-cyclohex-2-en-1-one Openeye Name: 3-ethynyl-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: 3-ethynyl-2,4,4-trimethyl-1-cyclohex-2-enone IUPAC Name: 3-ethynyl-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: 3-ethynyl-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C11H14O MolecularWeight: 162.22826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1=O)(C)C)C#C

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)C#C

InChI

InChI=1S/C11H14O/c1-5-9-8(2)10(12)6-7-11(9,3)4/h1H,6-7H2,2-4H3