(2,4-ditert-butylphenyl) 2,4-ditert-butyl-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: (2,4-ditert-butylphenyl) 2,4-ditert-butyl-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: (2,4-ditert-butylphenyl) 2,4-ditert-butyl-4-hydroxy-cyclohexa-2,5-diene-1-carboxylate CAS Name: 2,4-ditert-butyl-4-hydroxy-1-cyclohexa-2,5-dienecarboxylic acid (2,4-ditert-butylphenyl) ester IUPAC Name: (2,4-ditert-butylphenyl) 2,4-ditert-butyl-4-hydroxycyclohexa-2,5-diene-1-carboxylate Traditional Name: 2,4-ditert-butyl-4-hydroxy-cyclohexa-2,5-diene-1-carboxylic acid (2,4-ditert-butylphenyl) ester Formula: C29H44O3 MolecularWeight: 440.65786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2C=CC(C=C2C(C)(C)C)(C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2C=CC(C=C2C(C)(C)C)(C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C29H44O3/c1-25(2,3)19-13-14-23(21(17-19)26(4,5)6)32-24(30)20-15-16-29(31,28(10,11)12)18-22(20)27(7,8)9/h13-18,20,31H,1-12H3