3-[2-(1-oxidanylcyclohexyl)ethynyl]benzoate

Systemtic Name: 3-[2-(1-oxidanylcyclohexyl)ethynyl]benzoate Openeye Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]benzoate CAS Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]benzoate IUPAC Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]benzoate Traditional Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]benzoate Formula: C15H15O3- MolecularWeight: 243.2778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC(=CC=C2)C(=O)[O-])O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC(=CC=C2)C(=O)[O-])O

InChI

InChI=1S/C15H16O3/c16-14(17)13-6-4-5-12(11-13)7-10-15(18)8-2-1-3-9-15/h4-6,11,18H,1-3,8-9H2,(H,16,17)/p-1