3-fluoranyl-4-[1-oxidanyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]benzoic acid

Systemtic Name: 3-fluoranyl-4-[1-oxidanyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]benzoic acid Openeye Name: 3-fluoro-4-[1-hydroxy-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]benzoic acid CAS Name: 3-fluoro-4-[1-hydroxy-3-(2,6,6-trimethyl-1-cyclohexenyl)propyl]benzoic acid IUPAC Name: 3-fluoro-4-[1-hydroxy-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]benzoic acid Traditional Name: 3-fluoro-4-[1-hydroxy-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]benzoic acid Formula: C19H25FO3 MolecularWeight: 320.398403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CCC(C2=C(C=C(C=C2)C(=O)O)F)O

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CCC(C2=C(C=C(C=C2)C(=O)O)F)O

InChI

InChI=1S/C19H25FO3/c1-12-5-4-10-19(2,3)15(12)8-9-17(21)14-7-6-13(18(22)23)11-16(14)20/h6-7,11,17,21H,4-5,8-10H2,1-3H3,(H,22,23)