hexadecyl 2-tert-butyl-5-oxidanyl-benzoate

Systemtic Name: hexadecyl 2-tert-butyl-5-oxidanyl-benzoate Openeye Name: hexadecyl 2-tert-butyl-5-hydroxy-benzoate CAS Name: 2-tert-butyl-5-hydroxybenzoic acid hexadecyl ester IUPAC Name: hexadecyl 2-tert-butyl-5-hydroxybenzoate Traditional Name: 2-tert-butyl-5-hydroxy-benzoic acid cetyl ester Formula: C27H46O3 MolecularWeight: 418.65234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-26(29)24-22-23(28)19-20-25(24)27(2,3)4/h19-20,22,28H,5-18,21H2,1-4H3