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

Systemtic Name: 3-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylpropan-1-ol Openeye Name: 3-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylpropan-1-ol CAS Name: 3-[[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]-1-propanol IUPAC Name: 3-[3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylpropan-1-ol Traditional Name: 3-[[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]propan-1-ol Formula: C101H178OS6 MolecularWeight: 1600.88342

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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)SCCCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C101H178OS6/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-78-103-96-84-90-91-85-97(104-79-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2)99(106-81-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)87-93(91)95-89-101(108-83-76-77-102)100(107-82-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)88-94(95)92(90)86-98(96)105-80-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3/h84-89,102H,6-83H2,1-5H3