3,5-ditert-butyl-2,4-bis(2-tert-butylphenyl)-6-methyl-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: 3,5-ditert-butyl-2,4-bis(2-tert-butylphenyl)-6-methyl-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylate Openeye Name: 3,5-ditert-butyl-2,4-bis(2-tert-butylphenyl)-4-hydroxy-6-methyl-cyclohexa-2,5-diene-1-carboxylate CAS Name: 3,5-ditert-butyl-2,4-bis(2-tert-butylphenyl)-4-hydroxy-6-methyl-1-cyclohexa-2,5-dienecarboxylate IUPAC Name: 3,5-ditert-butyl-2,4-bis(2-tert-butylphenyl)-4-hydroxy-6-methylcyclohexa-2,5-diene-1-carboxylate Traditional Name: 3,5-ditert-butyl-2,4-bis(2-tert-butylphenyl)-4-hydroxy-6-methyl-cyclohexa-2,5-diene-1-carboxylate Formula: C36H49O3- MolecularWeight: 529.77246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(C1C(=O)[O-])C2=CC=CC=C2C(C)(C)C)C(C)(C)C)(C3=CC=CC=C3C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(C1C(=O)[O-])C2=CC=CC=C2C(C)(C)C)C(C)(C)C)(C3=CC=CC=C3C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C36H50O3/c1-22-27(31(37)38)28(23-18-14-15-19-24(23)32(2,3)4)30(35(11,12)13)36(39,29(22)34(8,9)10)26-21-17-16-20-25(26)33(5,6)7/h14-21,27,39H,1-13H3,(H,37,38)/p-1