[5-methyl-2-oxidanylidene-1,3,3-tris(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate

Systemtic Name: [5-methyl-2-oxidanylidene-1,3,3-tris(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate Openeye Name: [1,3,3-tris(benzoyloxymethyl)-5-methyl-2-oxo-cyclohexyl]methyl benzoate CAS Name: benzoic acid [1,3,3-tris(benzoyloxymethyl)-5-methyl-2-oxocyclohexyl]methyl ester IUPAC Name: [1,3,3-tris(benzoyloxymethyl)-5-methyl-2-oxocyclohexyl]methyl benzoate Traditional Name: benzoic acid [1,3,3-tris(benzoyloxymethyl)-2-keto-5-methyl-cyclohexyl]methyl ester Formula: C39H36O9 MolecularWeight: 648.69774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C1)(COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)(COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1CC(C(=O)C(C1)(COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)(COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C39H36O9/c1-28-22-38(24-45-33(40)29-14-6-2-7-15-29,25-46-34(41)30-16-8-3-9-17-30)37(44)39(23-28,26-47-35(42)31-18-10-4-11-19-31)27-48-36(43)32-20-12-5-13-21-32/h2-21,28H,22-27H2,1H3