5-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylpentan-1-ol

Systemtic Name: 5-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylpentan-1-ol Openeye Name: 5-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylpentan-1-ol CAS Name: 5-[[3,6,7,10,11-pentakis(hexylthio)-2-triphenylenyl]thio]-1-pentanol IUPAC Name: 5-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylpentan-1-ol Traditional Name: 5-[[3,6,7,10,11-pentakis(hexylthio)triphenylen-2-yl]thio]pentan-1-ol Formula: C53H82OS6 MolecularWeight: 927.60758

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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)SCCCCCO)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C53H82OS6/c1-6-11-16-23-30-55-48-36-42-43-37-49(56-31-24-17-12-7-2)51(58-33-26-19-14-9-4)39-45(43)47-41-53(60-35-28-21-22-29-54)52(59-34-27-20-15-10-5)40-46(47)44(42)38-50(48)57-32-25-18-13-8-3/h36-41,54H,6-35H2,1-5H3