4-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylbutan-1-ol

Systemtic Name: 4-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylbutan-1-ol Openeye Name: 4-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylbutan-1-ol CAS Name: 4-[[3,6,7,10,11-pentakis(hexylthio)-2-triphenylenyl]thio]-1-butanol IUPAC Name: 4-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylbutan-1-ol Traditional Name: 4-[[3,6,7,10,11-pentakis(hexylthio)triphenylen-2-yl]thio]butan-1-ol Formula: C52H80OS6 MolecularWeight: 913.581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCC)SCCCCO)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

CCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCC)SCCCCO)SCCCCCC)SCCCCCC)SCCCCCC

InChI

InChI=1S/C52H80OS6/c1-6-11-16-22-29-54-47-35-41-42-36-48(55-30-23-17-12-7-2)50(57-32-25-19-14-9-4)38-44(42)46-40-52(59-34-27-21-28-53)51(58-33-26-20-15-10-5)39-45(46)43(41)37-49(47)56-31-24-18-13-8-3/h35-40,53H,6-34H2,1-5H3