2-butyl-1-[4-[2-butyl-2-(2-butylsulfanylethylsulfanyl)-1-oxidanyl-oct-3-ynyl]phenyl]-2-(2-butylsulfanylethylsulfanyl)oct-3-yn-1-ol

Systemtic Name: 2-butyl-1-[4-[2-butyl-2-(2-butylsulfanylethylsulfanyl)-1-oxidanyl-oct-3-ynyl]phenyl]-2-(2-butylsulfanylethylsulfanyl)oct-3-yn-1-ol Openeye Name: 2-butyl-1-[4-[2-butyl-2-(2-butylsulfanylethylsulfanyl)-1-hydroxy-oct-3-ynyl]phenyl]-2-(2-butylsulfanylethylsulfanyl)oct-3-yn-1-ol CAS Name: 2-butyl-1-[4-[2-butyl-2-[2-(butylthio)ethylthio]-1-hydroxyoct-3-ynyl]phenyl]-2-[2-(butylthio)ethylthio]-3-octyn-1-ol IUPAC Name: 2-butyl-1-[4-[2-butyl-2-(2-butylsulfanylethylsulfanyl)-1-hydroxyoct-3-ynyl]phenyl]-2-(2-butylsulfanylethylsulfanyl)oct-3-yn-1-ol Traditional Name: 2-butyl-1-[4-[2-butyl-2-[2-(butylthio)ethylthio]-1-hydroxy-oct-3-ynyl]phenyl]-2-[2-(butylthio)ethylthio]oct-3-yn-1-ol Formula: C42H70O2S4 MolecularWeight: 735.264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(CCCC)(C(C1=CC=C(C=C1)C(C(CCCC)(C#CCCCC)SCCSCCCC)O)O)SCCSCCCC

Isomeric SMILES

CCCCC#CC(CCCC)(C(C1=CC=C(C=C1)C(C(CCCC)(C#CCCCC)SCCSCCCC)O)O)SCCSCCCC

InChI

InChI=1S/C42H70O2S4/c1-7-13-19-21-29-41(27-15-9-3,47-35-33-45-31-17-11-5)39(43)37-23-25-38(26-24-37)40(44)42(28-16-10-4,30-22-20-14-8-2)48-36-34-46-32-18-12-6/h23-26,39-40,43-44H,7-20,27-28,31-36H2,1-6H3