tridecyl 3-(3-tert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: tridecyl 3-(3-tert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: tridecyl 3-(3-tert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3-tert-butyl-4-hydroxyphenyl)propanoic acid tridecyl ester IUPAC Name: tridecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-phenyl)propionic acid tridecyl ester Formula: C26H44O3 MolecularWeight: 404.62576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C=C1)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C=C1)O)C(C)(C)C

InChI

InChI=1S/C26H44O3/c1-5-6-7-8-9-10-11-12-13-14-15-20-29-25(28)19-17-22-16-18-24(27)23(21-22)26(2,3)4/h16,18,21,27H,5-15,17,19-20H2,1-4H3