[4-methyl-2-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl] ethanoate

Systemtic Name: [4-methyl-2-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl] ethanoate Openeye Name: [2-[2-(1-hydroxycyclohexyl)ethynyl]-4-methyl-phenyl] acetate CAS Name: acetic acid [2-[2-(1-hydroxycyclohexyl)ethynyl]-4-methylphenyl] ester IUPAC Name: [2-[2-(1-hydroxycyclohexyl)ethynyl]-4-methylphenyl] acetate Traditional Name: acetic acid [2-[2-(1-hydroxycyclohexyl)ethynyl]-4-methyl-phenyl] ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C)C#CC2(CCCCC2)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C)C#CC2(CCCCC2)O

InChI

InChI=1S/C17H20O3/c1-13-6-7-16(20-14(2)18)15(12-13)8-11-17(19)9-4-3-5-10-17/h6-7,12,19H,3-5,9-10H2,1-2H3