3,4-bis(5-methyl-2-propan-2-yl-cyclohexyl)phthalic acid

Systemtic Name: 3,4-bis(5-methyl-2-propan-2-yl-cyclohexyl)phthalic acid Openeye Name: 3,4-bis(2-isopropyl-5-methyl-cyclohexyl)phthalic acid CAS Name: 3,4-bis(5-methyl-2-propan-2-ylcyclohexyl)phthalic acid IUPAC Name: 3,4-bis(5-methyl-2-propan-2-ylcyclohexyl)phthalic acid Traditional Name: 3,4-bis(2-isopropyl-5-methyl-cyclohexyl)phthalic acid Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)C3CC(CCC3C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)C2=C(C(=C(C=C2)C(=O)O)C(=O)O)C3CC(CCC3C(C)C)C)C(C)C

InChI

InChI=1S/C28H42O4/c1-15(2)19-9-7-17(5)13-23(19)21-11-12-22(27(29)30)26(28(31)32)25(21)24-14-18(6)8-10-20(24)16(3)4/h11-12,15-20,23-24H,7-10,13-14H2,1-6H3,(H,29,30)(H,31,32)