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

Systemtic Name: 2,2-bis[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl]hexanedioic acid Openeye Name: 2,2-bis[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl]hexanedioic acid CAS Name: 2,2-bis[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl]hexanedioic acid IUPAC Name: 2,2-bis[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl]hexanedioic acid Traditional Name: 2,2-bis[2-(2,4-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl]adipic acid Formula: C38H46O6 MolecularWeight: 598.76824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)C(CCCC(=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(CCCC(=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/C38H46O6/c1-22-11-13-26(24(3)16-22)33-28(18-36(5,6)20-30(33)39)38(35(43)44,15-9-10-32(41)42)29-19-37(7,8)21-31(40)34(29)27-14-12-23(2)17-25(27)4/h11-14,16-17H,9-10,15,18-21H2,1-8H3,(H,41,42)(H,43,44)