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

Systemtic Name: hexadecanoyl 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: hexadecanoyl 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid 1-oxohexadecyl ester IUPAC Name: hexadecanoyl 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid hexadecanoyl ester Formula: C31H52O4 MolecularWeight: 488.74218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(32)35-29(34)24-22-25(30(2,3)4)28(33)26(23-24)31(5,6)7/h22-23,33H,8-21H2,1-7H3