3-(2,2,6-trimethyl-1-oxidanyl-cyclohexyl)prop-2-ynoic acid

Systemtic Name: 3-(2,2,6-trimethyl-1-oxidanyl-cyclohexyl)prop-2-ynoic acid Openeye Name: 3-(1-hydroxy-2,2,6-trimethyl-cyclohexyl)prop-2-ynoic acid CAS Name: 3-(1-hydroxy-2,2,6-trimethylcyclohexyl)-2-propynoic acid IUPAC Name: 3-(1-hydroxy-2,2,6-trimethylcyclohexyl)prop-2-ynoic acid Traditional Name: 3-(1-hydroxy-2,2,6-trimethyl-cyclohexyl)propiolic acid Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1(C#CC(=O)O)O)(C)C

Isomeric SMILES

CC1CCCC(C1(C#CC(=O)O)O)(C)C

InChI

InChI=1S/C12H18O3/c1-9-5-4-7-11(2,3)12(9,15)8-6-10(13)14/h9,15H,4-5,7H2,1-3H3,(H,13,14)