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

Systemtic Name: [1,3,3-tris[(4-methylphenyl)carbonyloxymethyl]-2-oxidanylidene-cyclohexyl]methyl 4-methylbenzoate Openeye Name: [1,3,3-tris[(4-methylbenzoyl)oxymethyl]-2-oxo-cyclohexyl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1,3,3-tris[[(4-methylphenyl)-oxomethoxy]methyl]-2-oxocyclohexyl]methyl ester IUPAC Name: [1,3,3-tris[(4-methylbenzoyl)oxymethyl]-2-oxocyclohexyl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-keto-1,3,3-tris(p-toluoyloxymethyl)cyclohexyl]methyl ester Formula: C42H42O9 MolecularWeight: 690.77748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2(CCCC(C2=O)(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

CC1=CC=C(C=C1)C(=O)OCC2(CCCC(C2=O)(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/C42H42O9/c1-28-6-14-32(15-7-28)36(43)48-24-41(25-49-37(44)33-16-8-29(2)9-17-33)22-5-23-42(40(41)47,26-50-38(45)34-18-10-30(3)11-19-34)27-51-39(46)35-20-12-31(4)13-21-35/h6-21H,5,22-27H2,1-4H3