[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2,2-dimethyl-propyl] benzoate

Systemtic Name: [3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2,2-dimethyl-propyl] benzoate Openeye Name: [3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2,2-dimethyl-propyl] benzoate CAS Name: benzoic acid [3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl] ester IUPAC Name: [3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl] benzoate Traditional Name: benzoic acid [3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2,2-dimethyl-propyl] ester Formula: C26H36O3 MolecularWeight: 396.56224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H36O3/c1-24(2,3)20-14-18(15-21(22(20)27)25(4,5)6)16-26(7,8)17-29-23(28)19-12-10-9-11-13-19/h9-15,27H,16-17H2,1-8H3