3-[2-(1-oxidanylcyclohexyl)ethynyl]benzoic acid

Systemtic Name: 3-[2-(1-oxidanylcyclohexyl)ethynyl]benzoic acid Openeye Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]benzoic acid CAS Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]benzoic acid IUPAC Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]benzoic acid Traditional Name: 3-[2-(1-hydroxycyclohexyl)ethynyl]benzoic acid Formula: C15H16O3 MolecularWeight: 244.28574

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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)