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

Systemtic Name: 4-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylbutan-1-ol Openeye Name: 4-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylbutan-1-ol CAS Name: 4-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-butanol IUPAC Name: 4-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylbutan-1-ol Traditional Name: 4-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]butan-1-ol Formula: C102H180OS6 MolecularWeight: 1614.91

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCCC)SCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCCCCCCCCCC)SCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

InChI

InChI=1S/C102H180OS6/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-72-79-104-97-85-91-92-86-98(105-80-73-67-62-57-52-47-42-37-32-27-22-17-12-7-2)100(107-82-75-69-64-59-54-49-44-39-34-29-24-19-14-9-4)88-94(92)96-90-102(109-84-77-71-78-103)101(108-83-76-70-65-60-55-50-45-40-35-30-25-20-15-10-5)89-95(96)93(91)87-99(97)106-81-74-68-63-58-53-48-43-38-33-28-23-18-13-8-3/h85-90,103H,6-84H2,1-5H3