2-[[3,5-bis(hexylsulfanyl)-2-oxidanyl-phenyl]methyl]-4,6-bis(hexylsulfanyl)phenol

Systemtic Name: 2-[[3,5-bis(hexylsulfanyl)-2-oxidanyl-phenyl]methyl]-4,6-bis(hexylsulfanyl)phenol Openeye Name: 2-[[3,5-bis(hexylsulfanyl)-2-hydroxy-phenyl]methyl]-4,6-bis(hexylsulfanyl)phenol CAS Name: 2-[[3,5-bis(hexylthio)-2-hydroxyphenyl]methyl]-4,6-bis(hexylthio)phenol IUPAC Name: 2-[[3,5-bis(hexylsulfanyl)-2-hydroxyphenyl]methyl]-4,6-bis(hexylsulfanyl)phenol Traditional Name: 2-[3,5-bis(hexylthio)-2-hydroxy-benzyl]-4,6-bis(hexylthio)phenol Formula: C37H60O2S4 MolecularWeight: 665.1311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC(=C(C(=C1)CC2=CC(=CC(=C2O)SCCCCCC)SCCCCCC)O)SCCCCCC

Isomeric SMILES

CCCCCCSC1=CC(=C(C(=C1)CC2=CC(=CC(=C2O)SCCCCCC)SCCCCCC)O)SCCCCCC

InChI

InChI=1S/C37H60O2S4/c1-5-9-13-17-21-40-32-26-30(36(38)34(28-32)42-23-19-15-11-7-3)25-31-27-33(41-22-18-14-10-6-2)29-35(37(31)39)43-24-20-16-12-8-4/h26-29,38-39H,5-25H2,1-4H3