5-[2-(1-oxidanylcyclohexyl)ethynyl]thiophene-2-carboxylate

Systemtic Name: 5-[2-(1-oxidanylcyclohexyl)ethynyl]thiophene-2-carboxylate Openeye Name: 5-[2-(1-hydroxycyclohexyl)ethynyl]thiophene-2-carboxylate CAS Name: 5-[2-(1-hydroxycyclohexyl)ethynyl]-2-thiophenecarboxylate IUPAC Name: 5-[2-(1-hydroxycyclohexyl)ethynyl]thiophene-2-carboxylate Traditional Name: 5-[2-(1-hydroxycyclohexyl)ethynyl]-2-thenoate Formula: C13H13O3S- MolecularWeight: 249.30552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC=C(S2)C(=O)[O-])O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC=C(S2)C(=O)[O-])O

InChI

InChI=1S/C13H14O3S/c14-12(15)11-5-4-10(17-11)6-9-13(16)7-2-1-3-8-13/h4-5,16H,1-3,7-8H2,(H,14,15)/p-1