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

Systemtic Name: 5-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylpentan-1-ol Openeye Name: 5-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylpentan-1-ol CAS Name: 5-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-pentanol IUPAC Name: 5-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylpentan-1-ol Traditional Name: 5-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]pentan-1-ol Formula: C103H182OS6 MolecularWeight: 1628.93658

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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)SCCCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C103H182OS6/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-73-80-105-98-86-92-93-87-99(106-81-74-67-62-57-52-47-42-37-32-27-22-17-12-7-2)101(108-83-76-69-64-59-54-49-44-39-34-29-24-19-14-9-4)89-95(93)97-91-103(110-85-78-71-72-79-104)102(109-84-77-70-65-60-55-50-45-40-35-30-25-20-15-10-5)90-96(97)94(92)88-100(98)107-82-75-68-63-58-53-48-43-38-33-28-23-18-13-8-3/h86-91,104H,6-85H2,1-5H3