2,3,6,7,10-pentakis(octylsulfanyl)-11-pentadec-14-enylsulfanyl-triphenylene

Systemtic Name: 2,3,6,7,10-pentakis(octylsulfanyl)-11-pentadec-14-enylsulfanyl-triphenylene Openeye Name: 2,3,6,7,10-pentakis(octylsulfanyl)-11-pentadec-14-enylsulfanyl-triphenylene CAS Name: 2,3,6,7,10-pentakis(octylthio)-11-(pentadec-14-enylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(octylsulfanyl)-11-pentadec-14-enylsulfanyltriphenylene Traditional Name: 2,3,6,7,10-pentakis(octylthio)-11-(pentadec-14-enylthio)triphenylene Formula: C73H120S6 MolecularWeight: 1190.1239

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCC)SCCCCCCCCCCCCCC=C)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

Isomeric SMILES

CCCCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCCCC)SCCCCCCCCCCCCCC=C)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

InChI

InChI=1S/C73H120S6/c1-7-13-19-25-31-32-33-34-35-36-37-43-49-55-79-73-61-67-65-59-71(77-53-47-41-29-23-17-11-5)69(75-51-45-39-27-21-15-9-3)57-63(65)62-56-68(74-50-44-38-26-20-14-8-2)70(76-52-46-40-28-22-16-10-4)58-64(62)66(67)60-72(73)78-54-48-42-30-24-18-12-6/h7,56-61H,1,8-55H2,2-6H3