3,4-bis[2,4-bis(2-methylbutan-2-yl)phenyl]phthalate

Systemtic Name: 3,4-bis[2,4-bis(2-methylbutan-2-yl)phenyl]phthalate Openeye Name: 3,4-bis[2,4-bis(1,1-dimethylpropyl)phenyl]phthalate CAS Name: 3,4-bis[2,4-bis(2-methylbutan-2-yl)phenyl]phthalate IUPAC Name: 3,4-bis[2,4-bis(2-methylbutan-2-yl)phenyl]phthalate Traditional Name: 3,4-bis(2,4-ditert-amylphenyl)phthalate Formula: C40H52O4-2 MolecularWeight: 596.83848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3=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)C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3=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)25-17-19-27(31(23-25)39(9,10)15-3)28-21-22-30(35(41)42)34(36(43)44)33(28)29-20-18-26(38(7,8)14-2)24-32(29)40(11,12)16-4/h17-24H,13-16H2,1-12H3,(H,41,42)(H,43,44)/p-2