4-[2-(1-oxidanylcyclohexyl)ethynyl]benzoate

Systemtic Name: 4-[2-(1-oxidanylcyclohexyl)ethynyl]benzoate Openeye Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]benzoate CAS Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]benzoate IUPAC Name: 4-[2-(1-hydroxycyclohexyl)ethynyl]benzoate Traditional Name: 4-[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=C(C=C2)C(=O)[O-])O

Isomeric SMILES

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

InChI

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