4-methyl-1,2-bis(3,5,5-trimethylhexyl)cyclohexane-1,2-dicarboxylate

Systemtic Name: 4-methyl-1,2-bis(3,5,5-trimethylhexyl)cyclohexane-1,2-dicarboxylate Openeye Name: 4-methyl-1,2-bis(3,5,5-trimethylhexyl)cyclohexane-1,2-dicarboxylate CAS Name: 4-methyl-1,2-bis(3,5,5-trimethylhexyl)cyclohexane-1,2-dicarboxylate IUPAC Name: 4-methyl-1,2-bis(3,5,5-trimethylhexyl)cyclohexane-1,2-dicarboxylate Traditional Name: 4-methyl-1,2-bis(3,5,5-trimethylhexyl)cyclohexane-1,2-dicarboxylate Formula: C27H48O4-2 MolecularWeight: 436.66762

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)(CCC(C)CC(C)(C)C)C(=O)[O-])(CCC(C)CC(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1CCC(C(C1)(CCC(C)CC(C)(C)C)C(=O)[O-])(CCC(C)CC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C27H50O4/c1-19(16-24(4,5)6)10-13-26(22(28)29)14-11-21(3)18-27(26,23(30)31)15-12-20(2)17-25(7,8)9/h19-21H,10-18H2,1-9H3,(H,28,29)(H,30,31)/p-2