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

Systemtic Name: 3-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylpropan-1-ol Openeye Name: 3-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylpropan-1-ol CAS Name: 3-[[3,6,7,10,11-pentakis(hexylthio)-2-triphenylenyl]thio]-1-propanol IUPAC Name: 3-[3,6,7,10,11-pentakis(hexylsulfanyl)triphenylen-2-yl]sulfanylpropan-1-ol Traditional Name: 3-[[3,6,7,10,11-pentakis(hexylthio)triphenylen-2-yl]thio]propan-1-ol Formula: C51H78OS6 MolecularWeight: 899.55442

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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)SCCCO)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C51H78OS6/c1-6-11-16-21-28-53-46-34-40-41-35-47(54-29-22-17-12-7-2)49(56-31-24-19-14-9-4)37-43(41)45-39-51(58-33-26-27-52)50(57-32-25-20-15-10-5)38-44(45)42(40)36-48(46)55-30-23-18-13-8-3/h34-39,52H,6-33H2,1-5H3