3,4-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phthalate

Systemtic Name: 3,4-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phthalate Openeye Name: 3,4-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]phthalate CAS Name: 3,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phthalate IUPAC Name: 3,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phthalate Traditional Name: 3,4-bis(3,5-ditert-butyl-4-hydroxy-benzyl)phthalate Formula: C38H48O6-2 MolecularWeight: 600.78412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C38H50O6/c1-35(2,3)26-17-21(18-27(31(26)39)36(4,5)6)15-23-13-14-24(33(41)42)30(34(43)44)25(23)16-22-19-28(37(7,8)9)32(40)29(20-22)38(10,11)12/h13-14,17-20,39-40H,15-16H2,1-12H3,(H,41,42)(H,43,44)/p-2