2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]ethyl octadecanoate

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]ethyl octadecanoate Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]ethyl octadecanoate CAS Name: octadecanoic acid 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]ethyl ester IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]ethyl octadecanoate Traditional Name: stearic acid 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]ethyl ester Formula: C37H66O3S MolecularWeight: 590.98314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCSCCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCSCCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C37H66O3S/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-34(38)40-26-28-41-27-23-24-31-29-32(36(2,3)4)35(39)33(30-31)37(5,6)7/h29-30,39H,8-28H2,1-7H3