octadecylsulfanyl 2-[(5-tert-butyl-2,3-diethyl-4-oxidanyl-phenyl)-octadecylsulfanyl-methyl]pentanoate

Systemtic Name: octadecylsulfanyl 2-[(5-tert-butyl-2,3-diethyl-4-oxidanyl-phenyl)-octadecylsulfanyl-methyl]pentanoate Openeye Name: octadecylsulfanyl 2-[(5-tert-butyl-2,3-diethyl-4-hydroxy-phenyl)-octadecylsulfanyl-methyl]pentanoate CAS Name: 2-[(5-tert-butyl-2,3-diethyl-4-hydroxyphenyl)-(octadecylthio)methyl]pentanoic acid (octadecylthio) ester IUPAC Name: octadecylsulfanyl 2-[(5-tert-butyl-2,3-diethyl-4-hydroxyphenyl)-octadecylsulfanylmethyl]pentanoate Traditional Name: 2-[(5-tert-butyl-2,3-diethyl-4-hydroxy-phenyl)-(stearylthio)methyl]valeric acid (stearylthio) ester Formula: C56H104O3S2 MolecularWeight: 889.55316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(C1=CC(=C(C(=C1CC)CC)O)C(C)(C)C)C(CCC)C(=O)OSCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(C1=CC(=C(C(=C1CC)CC)O)C(C)(C)C)C(CCC)C(=O)OSCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C56H104O3S2/c1-9-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-45-60-54(51-47-52(56(6,7)8)53(57)49(13-5)48(51)12-4)50(44-11-3)55(58)59-61-46-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-10-2/h47,50,54,57H,9-46H2,1-8H3