2,2-bis[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl]decanedioate

Systemtic Name: 2,2-bis[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl]decanedioate Openeye Name: 2,2-bis[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl]decanedioate CAS Name: 2,2-bis[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl]decanedioate IUPAC Name: 2,2-bis[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl]decanedioate Traditional Name: 2,2-bis[2-(2,4-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl]sebacate Formula: C42H52O6-2 MolecularWeight: 652.85868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)C(CCCCCCCC(=O)[O-])(C3=C(C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)C)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)C(CCCCCCCC(=O)[O-])(C3=C(C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)C)C)C(=O)[O-])C

InChI

InChI=1S/C42H54O6/c1-26-15-17-30(28(3)20-26)37-32(22-40(5,6)24-34(37)43)42(39(47)48,19-13-11-9-10-12-14-36(45)46)33-23-41(7,8)25-35(44)38(33)31-18-16-27(2)21-29(31)4/h15-18,20-21H,9-14,19,22-25H2,1-8H3,(H,45,46)(H,47,48)/p-2