[5-methyl-1,3,3-tris[(4-methylphenyl)carbonyloxymethyl]-2-oxidanylidene-cyclohexyl]methyl 4-methylbenzoate

Systemtic Name: [5-methyl-1,3,3-tris[(4-methylphenyl)carbonyloxymethyl]-2-oxidanylidene-cyclohexyl]methyl 4-methylbenzoate Openeye Name: [5-methyl-1,3,3-tris[(4-methylbenzoyl)oxymethyl]-2-oxo-cyclohexyl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-methyl-1,3,3-tris[[(4-methylphenyl)-oxomethoxy]methyl]-2-oxocyclohexyl]methyl ester IUPAC Name: [5-methyl-1,3,3-tris[(4-methylbenzoyl)oxymethyl]-2-oxocyclohexyl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-keto-5-methyl-1,3,3-tris(p-toluoyloxymethyl)cyclohexyl]methyl ester Formula: C43H44O9 MolecularWeight: 704.80406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H44O9/c1-28-6-14-33(15-7-28)37(44)49-24-42(25-50-38(45)34-16-8-29(2)9-17-34)22-32(5)23-43(41(42)48,26-51-39(46)35-18-10-30(3)11-19-35)27-52-40(47)36-20-12-31(4)13-21-36/h6-21,32H,22-27H2,1-5H3