5-(2,6-dimethyl-3-oxidanyl-cyclohexen-1-yl)-3-methyl-pent-2-en-4-ynoic acid

Systemtic Name: 5-(2,6-dimethyl-3-oxidanyl-cyclohexen-1-yl)-3-methyl-pent-2-en-4-ynoic acid Openeye Name: 5-(3-hydroxy-2,6-dimethyl-cyclohexen-1-yl)-3-methyl-pent-2-en-4-ynoic acid CAS Name: 5-(3-hydroxy-2,6-dimethyl-1-cyclohexenyl)-3-methylpent-2-en-4-ynoic acid IUPAC Name: 5-(3-hydroxy-2,6-dimethylcyclohexen-1-yl)-3-methylpent-2-en-4-ynoic acid Traditional Name: 5-(3-hydroxy-2,6-dimethyl-cyclohexen-1-yl)-3-methyl-pent-2-en-4-ynoic acid Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=C1C#CC(=CC(=O)O)C)C)O

Isomeric SMILES

CC1CCC(C(=C1C#CC(=CC(=O)O)C)C)O

InChI

InChI=1S/C14H18O3/c1-9(8-14(16)17)4-6-12-10(2)5-7-13(15)11(12)3/h8,10,13,15H,5,7H2,1-3H3,(H,16,17)