methyl 2-[2-(1-oxidanylcyclohexyl)ethynyl]benzoate

Systemtic Name: methyl 2-[2-(1-oxidanylcyclohexyl)ethynyl]benzoate Openeye Name: methyl 2-[2-(1-hydroxycyclohexyl)ethynyl]benzoate CAS Name: 2-[2-(1-hydroxycyclohexyl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(1-hydroxycyclohexyl)ethynyl]benzoate Traditional Name: 2-[2-(1-hydroxycyclohexyl)ethynyl]benzoic acid methyl ester Formula: C16H18O3 MolecularWeight: 258.31232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C#CC2(CCCCC2)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1C#CC2(CCCCC2)O

InChI

InChI=1S/C16H18O3/c1-19-15(17)14-8-4-3-7-13(14)9-12-16(18)10-5-2-6-11-16/h3-4,7-8,18H,2,5-6,10-11H2,1H3