3-(5-methyl-1-oxidanyl-2-propan-2-yl-cyclohexyl)prop-2-ynoic acid

Systemtic Name: 3-(5-methyl-1-oxidanyl-2-propan-2-yl-cyclohexyl)prop-2-ynoic acid Openeye Name: 3-(1-hydroxy-2-isopropyl-5-methyl-cyclohexyl)prop-2-ynoic acid CAS Name: 3-(1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl)-2-propynoic acid IUPAC Name: 3-(1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl)prop-2-ynoic acid Traditional Name: 3-(1-hydroxy-2-isopropyl-5-methyl-cyclohexyl)propiolic acid Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)(C#CC(=O)O)O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)(C#CC(=O)O)O)C(C)C

InChI

InChI=1S/C13H20O3/c1-9(2)11-5-4-10(3)8-13(11,16)7-6-12(14)15/h9-11,16H,4-5,8H2,1-3H3,(H,14,15)