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

Systemtic Name: [3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylmethanol Openeye Name: [3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylmethanol CAS Name: [[3,6,7,10,11-pentakis(hexadecylthio)-2-triphenylenyl]thio]methanol IUPAC Name: [3,6,7,10,11-pentakis(hexadecylsulfanyl)triphenylen-2-yl]sulfanylmethanol Traditional Name: [[3,6,7,10,11-pentakis(cetylthio)triphenylen-2-yl]thio]methanol Formula: C99H174OS6 MolecularWeight: 1572.83026

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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)SCO)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC)SCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C99H174OS6/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-101-94-81-88-89-82-95(102-77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2)97(104-79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)84-91(89)93-86-99(106-87-100)98(105-80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)85-92(93)90(88)83-96(94)103-78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3/h81-86,100H,6-80,87H2,1-5H3