hexadecyl 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: hexadecyl 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: hexadecyl 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid cetyl ester Formula: C31H54O3 MolecularWeight: 474.75866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3