methyl (1S,6S)-2-oxidanyl-4-oxidanylidene-6-(2,4,6-trimethylphenyl)cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1S,6S)-2-oxidanyl-4-oxidanylidene-6-(2,4,6-trimethylphenyl)cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1S,6S)-2-hydroxy-4-oxo-6-(2,4,6-trimethylphenyl)cyclohex-2-ene-1-carboxylate CAS Name: (1S,6S)-2-hydroxy-4-oxo-6-(2,4,6-trimethylphenyl)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6S)-2-hydroxy-4-oxo-6-(2,4,6-trimethylphenyl)cyclohex-2-ene-1-carboxylate Traditional Name: (1S,6S)-2-hydroxy-4-keto-6-mesityl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2CC(=O)C=C(C2C(=O)OC)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@H]2CC(=O)C=C([C@H]2C(=O)OC)O)C

InChI

InChI=1S/C17H20O4/c1-9-5-10(2)15(11(3)6-9)13-7-12(18)8-14(19)16(13)17(20)21-4/h5-6,8,13,16,19H,7H2,1-4H3/t13-,16+/m1/s1