tert-butyl 4-[2,4-bis(2-methylbutan-2-yl)phenyl]-2-tert-butyl-5-oxidanyl-benzoate

Systemtic Name: tert-butyl 4-[2,4-bis(2-methylbutan-2-yl)phenyl]-2-tert-butyl-5-oxidanyl-benzoate Openeye Name: tert-butyl 4-[2,4-bis(1,1-dimethylpropyl)phenyl]-2-tert-butyl-5-hydroxy-benzoate CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenyl]-2-tert-butyl-5-hydroxybenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2,4-bis(2-methylbutan-2-yl)phenyl]-2-tert-butyl-5-hydroxybenzoate Traditional Name: 2-tert-butyl-4-(2,4-ditert-amylphenyl)-5-hydroxy-benzoic acid tert-butyl ester Formula: C31H46O3 MolecularWeight: 466.69514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)C2=CC(=C(C=C2O)C(=O)OC(C)(C)C)C(C)(C)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)C2=CC(=C(C=C2O)C(=O)OC(C)(C)C)C(C)(C)C)C(C)(C)CC

InChI

InChI=1S/C31H46O3/c1-13-30(9,10)20-15-16-21(25(17-20)31(11,12)14-2)22-18-24(28(3,4)5)23(19-26(22)32)27(33)34-29(6,7)8/h15-19,32H,13-14H2,1-12H3