2,3-bis[5,5-dimethyl-2-(2-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl]terephthalic acid

Systemtic Name: 2,3-bis[5,5-dimethyl-2-(2-methylphenyl)-3-oxidanylidene-cyclohexen-1-yl]terephthalic acid Openeye Name: 2,3-bis[5,5-dimethyl-2-(o-tolyl)-3-oxo-cyclohexen-1-yl]terephthalic acid CAS Name: 2,3-bis[5,5-dimethyl-2-(2-methylphenyl)-3-oxo-1-cyclohexenyl]terephthalic acid IUPAC Name: 2,3-bis[5,5-dimethyl-2-(2-methylphenyl)-3-oxocyclohexen-1-yl]terephthalic acid Traditional Name: 2,3-bis[3-keto-5,5-dimethyl-2-(o-tolyl)cyclohexen-1-yl]terephthalic acid Formula: C38H38O6 MolecularWeight: 590.70472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(CC(CC2=O)(C)C)C3=C(C=CC(=C3C4=C(C(=O)CC(C4)(C)C)C5=CC=CC=C5C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(CC(CC2=O)(C)C)C3=C(C=CC(=C3C4=C(C(=O)CC(C4)(C)C)C5=CC=CC=C5C)C(=O)O)C(=O)O

InChI

InChI=1S/C38H38O6/c1-21-11-7-9-13-23(21)31-27(17-37(3,4)19-29(31)39)33-25(35(41)42)15-16-26(36(43)44)34(33)28-18-38(5,6)20-30(40)32(28)24-14-10-8-12-22(24)2/h7-16H,17-20H2,1-6H3,(H,41,42)(H,43,44)