(2-octylphenyl) 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: (2-octylphenyl) 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: (2-octylphenyl) 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid (2-octylphenyl) ester IUPAC Name: (2-octylphenyl) 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid (2-octylphenyl) ester Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C29H42O3/c1-8-9-10-11-12-13-16-21-17-14-15-18-25(21)32-27(31)22-19-23(28(2,3)4)26(30)24(20-22)29(5,6)7/h14-15,17-20,30H,8-13,16H2,1-7H3