hexyl 2-[(3-tert-butyl-4-oxidanyl-phenyl)methyl]butanoate

Systemtic Name: hexyl 2-[(3-tert-butyl-4-oxidanyl-phenyl)methyl]butanoate Openeye Name: hexyl 2-[(3-tert-butyl-4-hydroxy-phenyl)methyl]butanoate CAS Name: 2-[(3-tert-butyl-4-hydroxyphenyl)methyl]butanoic acid hexyl ester IUPAC Name: hexyl 2-[(3-tert-butyl-4-hydroxyphenyl)methyl]butanoate Traditional Name: 2-(3-tert-butyl-4-hydroxy-benzyl)butyric acid hexyl ester Formula: C21H34O3 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC)CC1=CC(=C(C=C1)O)C(C)(C)C

Isomeric SMILES

CCCCCCOC(=O)C(CC)CC1=CC(=C(C=C1)O)C(C)(C)C

InChI

InChI=1S/C21H34O3/c1-6-8-9-10-13-24-20(23)17(7-2)14-16-11-12-19(22)18(15-16)21(3,4)5/h11-12,15,17,22H,6-10,13-14H2,1-5H3