2,4-bis[bis(4-methylphenyl)methyl]-5-methoxy-6-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2,4-bis[bis(4-methylphenyl)methyl]-5-methoxy-6-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one Openeye Name: 2,4-bis(bis-p-tolylmethyl)-5-methoxy-6-(p-tolyl)cyclohepta-2,4,6-trien-1-one CAS Name: 2,4-bis[bis(4-methylphenyl)methyl]-5-methoxy-6-(4-methylphenyl)-1-cyclohepta-2,4,6-trienone IUPAC Name: 2,4-bis[bis(4-methylphenyl)methyl]-5-methoxy-6-(4-methylphenyl)cyclohepta-2,4,6-trien-1-one Traditional Name: 2,4-bis(bis-p-tolylmethyl)-5-methoxy-6-(p-tolyl)cyclohepta-2,4,6-trien-1-one Formula: C45H42O2 MolecularWeight: 614.81378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)C(=CC(=C2OC)C(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)C(C5=CC=C(C=C5)C)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)C(=CC(=C2OC)C(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)C(C5=CC=C(C=C5)C)C6=CC=C(C=C6)C

InChI

InChI=1S/C45H42O2/c1-29-7-17-34(18-8-29)39-28-42(46)40(43(35-19-9-30(2)10-20-35)36-21-11-31(3)12-22-36)27-41(45(39)47-6)44(37-23-13-32(4)14-24-37)38-25-15-33(5)16-26-38/h7-28,43-44H,1-6H3