3,4-bis(2,6-ditert-butyl-4-methyl-phenyl)phthalate

Systemtic Name: 3,4-bis(2,6-ditert-butyl-4-methyl-phenyl)phthalate Openeye Name: 3,4-bis(2,6-ditert-butyl-4-methyl-phenyl)phthalate CAS Name: 3,4-bis(2,6-ditert-butyl-4-methylphenyl)phthalate IUPAC Name: 3,4-bis(2,6-ditert-butyl-4-methylphenyl)phthalate Traditional Name: 3,4-bis(2,6-ditert-butyl-4-methyl-phenyl)phthalate Formula: C38H48O4-2 MolecularWeight: 568.78532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3=C(C=C(C=C3C(C)(C)C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])C3=C(C=C(C=C3C(C)(C)C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C38H50O4/c1-21-17-25(35(3,4)5)29(26(18-21)36(6,7)8)23-15-16-24(33(39)40)31(34(41)42)30(23)32-27(37(9,10)11)19-22(2)20-28(32)38(12,13)14/h15-20H,1-14H3,(H,39,40)(H,41,42)/p-2