3,4-bis(3,3,5-trimethylcyclohexyl)phthalate

Systemtic Name: 3,4-bis(3,3,5-trimethylcyclohexyl)phthalate Openeye Name: 3,4-bis(3,3,5-trimethylcyclohexyl)phthalate CAS Name: 3,4-bis(3,3,5-trimethylcyclohexyl)phthalate IUPAC Name: 3,4-bis(3,3,5-trimethylcyclohexyl)phthalate Traditional Name: 3,4-bis(3,3,5-trimethylcyclohexyl)phthalate Formula: C26H36O4-2 MolecularWeight: 412.56164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3CC(CC(C3)(C)C)C

Isomeric SMILES

CC1CC(CC(C1)(C)C)C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3CC(CC(C3)(C)C)C

InChI

InChI=1S/C26H38O4/c1-15-9-17(13-25(3,4)11-15)19-7-8-20(23(27)28)22(24(29)30)21(19)18-10-16(2)12-26(5,6)14-18/h7-8,15-18H,9-14H2,1-6H3,(H,27,28)(H,29,30)/p-2