3-[2-(3-chlorophenyl)ethynyl]-3-oxidanyl-cyclohexan-1-one

Systemtic Name: 3-[2-(3-chlorophenyl)ethynyl]-3-oxidanyl-cyclohexan-1-one Openeye Name: 3-[2-(3-chlorophenyl)ethynyl]-3-hydroxy-cyclohexanone CAS Name: 3-[2-(3-chlorophenyl)ethynyl]-3-hydroxy-1-cyclohexanone IUPAC Name: 3-[2-(3-chlorophenyl)ethynyl]-3-hydroxycyclohexan-1-one Traditional Name: 3-[2-(3-chlorophenyl)ethynyl]-3-hydroxy-cyclohexanone Formula: C14H13ClO2 MolecularWeight: 248.70482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC(C1)(C#CC2=CC(=CC=C2)Cl)O

Isomeric SMILES

C1CC(=O)CC(C1)(C#CC2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C14H13ClO2/c15-12-4-1-3-11(9-12)6-8-14(17)7-2-5-13(16)10-14/h1,3-4,9,17H,2,5,7,10H2