methyl 4-[bis[2,6-bis(oxidanylidene)-4-phenyl-cyclohexyl]methyl]benzoate

Systemtic Name: methyl 4-[bis[2,6-bis(oxidanylidene)-4-phenyl-cyclohexyl]methyl]benzoate Openeye Name: methyl 4-[bis(2,6-dioxo-4-phenyl-cyclohexyl)methyl]benzoate CAS Name: 4-[bis(2,6-dioxo-4-phenylcyclohexyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(2,6-dioxo-4-phenylcyclohexyl)methyl]benzoate Traditional Name: 4-[bis(2,6-diketo-4-phenyl-cyclohexyl)methyl]benzoic acid methyl ester Formula: C33H30O6 MolecularWeight: 522.5877

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C2C(=O)CC(CC2=O)C3=CC=CC=C3)C4C(=O)CC(CC4=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(C2C(=O)CC(CC2=O)C3=CC=CC=C3)C4C(=O)CC(CC4=O)C5=CC=CC=C5

InChI

InChI=1S/C33H30O6/c1-39-33(38)23-14-12-22(13-15-23)30(31-26(34)16-24(17-27(31)35)20-8-4-2-5-9-20)32-28(36)18-25(19-29(32)37)21-10-6-3-7-11-21/h2-15,24-25,30-32H,16-19H2,1H3