bis(phenylmethyl) 2-(4-fluorophenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 2-(4-fluorophenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: dibenzyl 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: 2-(4-fluorophenyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid dibenzyl ester Formula: C29H27FO6 MolecularWeight: 490.519483

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CC1(CC(=O)C(C(C1C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C29H27FO6/c1-29(34)16-23(31)25(27(32)35-17-19-8-4-2-5-9-19)24(21-12-14-22(30)15-13-21)26(29)28(33)36-18-20-10-6-3-7-11-20/h2-15,24-26,34H,16-18H2,1H3