2,4-bis(5-methyl-2-propan-2-yl-cyclohexyl)benzene-1,3-dicarboxylate

Systemtic Name: 2,4-bis(5-methyl-2-propan-2-yl-cyclohexyl)benzene-1,3-dicarboxylate Openeye Name: 2,4-bis(2-isopropyl-5-methyl-cyclohexyl)benzene-1,3-dicarboxylate CAS Name: 2,4-bis(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,3-dicarboxylate IUPAC Name: 2,4-bis(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,3-dicarboxylate Traditional Name: 2,4-bis(2-isopropyl-5-methyl-cyclohexyl)isophthalate Formula: C28H40O4-2 MolecularWeight: 440.6148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C2=C(C(=C(C=C2)C(=O)[O-])C3CC(CCC3C(C)C)C)C(=O)[O-])C(C)C

Isomeric SMILES

CC1CCC(C(C1)C2=C(C(=C(C=C2)C(=O)[O-])C3CC(CCC3C(C)C)C)C(=O)[O-])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)25(26(21)28(31)32)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)/p-2