4-[[3-(4-decanoyloxybutylsulfanylmethyl)-2,4,6-trimethyl-5-oxidanyl-phenyl]methylsulfanyl]butyl decanoate

Systemtic Name: 4-[[3-(4-decanoyloxybutylsulfanylmethyl)-2,4,6-trimethyl-5-oxidanyl-phenyl]methylsulfanyl]butyl decanoate Openeye Name: 4-[[3-(4-decanoyloxybutylsulfanylmethyl)-5-hydroxy-2,4,6-trimethyl-phenyl]methylsulfanyl]butyl decanoate CAS Name: decanoic acid 4-[[3-hydroxy-2,4,6-trimethyl-5-[[4-(1-oxodecoxy)butylthio]methyl]phenyl]methylthio]butyl ester IUPAC Name: 4-[[3-(4-decanoyloxybutylsulfanylmethyl)-5-hydroxy-2,4,6-trimethylphenyl]methylsulfanyl]butyl decanoate Traditional Name: capric acid 4-[[3-[(4-capryloxybutylthio)methyl]-5-hydroxy-2,4,6-trimethyl-benzyl]thio]butyl ester Formula: C39H68O5S2 MolecularWeight: 681.08422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCCCCSCC1=C(C(=C(C(=C1C)O)C)CSCCCCOC(=O)CCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCC(=O)OCCCCSCC1=C(C(=C(C(=C1C)O)C)CSCCCCOC(=O)CCCCCCCCC)C

InChI

InChI=1S/C39H68O5S2/c1-6-8-10-12-14-16-18-24-37(40)43-26-20-22-28-45-30-35-32(3)36(34(5)39(42)33(35)4)31-46-29-23-21-27-44-38(41)25-19-17-15-13-11-9-7-2/h42H,6-31H2,1-5H3