hexadecyl 3-tert-butyl-5-methyl-4-oxidanyl-benzoate

Systemtic Name: hexadecyl 3-tert-butyl-5-methyl-4-oxidanyl-benzoate Openeye Name: hexadecyl 3-tert-butyl-4-hydroxy-5-methyl-benzoate CAS Name: 3-tert-butyl-4-hydroxy-5-methylbenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-tert-butyl-4-hydroxy-5-methylbenzoate Traditional Name: 3-tert-butyl-4-hydroxy-5-methyl-benzoic acid cetyl ester Formula: C28H48O3 MolecularWeight: 432.67892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-27(30)24-21-23(2)26(29)25(22-24)28(3,4)5/h21-22,29H,6-20H2,1-5H3