bis[2,4-bis(2-methylbutan-2-yl)phenyl] benzene-1,2-dicarboxylate

Systemtic Name: bis[2,4-bis(2-methylbutan-2-yl)phenyl] benzene-1,2-dicarboxylate Openeye Name: bis[2,4-bis(1,1-dimethylpropyl)phenyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis[2,4-bis(2-methylbutan-2-yl)phenyl] ester IUPAC Name: bis[2,4-bis(2-methylbutan-2-yl)phenyl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(2,4-ditert-amylphenyl) ester Formula: C40H54O4 MolecularWeight: 598.85436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C40H54O4/c1-13-37(5,6)27-21-23-33(31(25-27)39(9,10)15-3)43-35(41)29-19-17-18-20-30(29)36(42)44-34-24-22-28(38(7,8)14-2)26-32(34)40(11,12)16-4/h17-26H,13-16H2,1-12H3