2-[2-(4-tert-butylphenyl)ethynyl]-2-oxidanyl-cyclohexan-1-one

Systemtic Name: 2-[2-(4-tert-butylphenyl)ethynyl]-2-oxidanyl-cyclohexan-1-one Openeye Name: 2-[2-(4-tert-butylphenyl)ethynyl]-2-hydroxy-cyclohexanone CAS Name: 2-[2-(4-tert-butylphenyl)ethynyl]-2-hydroxy-1-cyclohexanone IUPAC Name: 2-[2-(4-tert-butylphenyl)ethynyl]-2-hydroxycyclohexan-1-one Traditional Name: 2-[2-(4-tert-butylphenyl)ethynyl]-2-hydroxy-cyclohexanone Formula: C18H22O2 MolecularWeight: 270.36608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O2/c1-17(2,3)15-9-7-14(8-10-15)11-13-18(20)12-5-4-6-16(18)19/h7-10,20H,4-6,12H2,1-3H3