3-methyl-5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)benzoic acid

Systemtic Name: 3-methyl-5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)benzoic acid Openeye Name: 3-(1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl)-5-methyl-benzoic acid CAS Name: 3-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-5-methylbenzoic acid IUPAC Name: 3-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-5-methylbenzoic acid Traditional Name: 3-(1-hydroxy-4-keto-2,6,6-trimethyl-cyclohex-2-en-1-yl)-5-methyl-benzoic acid Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2(C(=CC(=O)CC2(C)C)C)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)C2(C(=CC(=O)CC2(C)C)C)O)C(=O)O

InChI

InChI=1S/C17H20O4/c1-10-5-12(15(19)20)8-13(6-10)17(21)11(2)7-14(18)9-16(17,3)4/h5-8,21H,9H2,1-4H3,(H,19,20)