2-non-8-enylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene

Systemtic Name: 2-non-8-enylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Openeye Name: 2-non-8-enylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene CAS Name: 2-(non-8-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene IUPAC Name: 2-non-8-enylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Traditional Name: 2-(non-8-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene Formula: C67H108S6 MolecularWeight: 1105.96442

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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)SCCCCCCCC=C)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C67H108S6/c1-7-13-19-25-31-37-43-49-73-67-55-61-59-53-65(71-47-41-35-29-23-17-11-5)63(69-45-39-33-27-21-15-9-3)51-57(59)56-50-62(68-44-38-32-26-20-14-8-2)64(70-46-40-34-28-22-16-10-4)52-58(56)60(61)54-66(67)72-48-42-36-30-24-18-12-6/h7,50-55H,1,8-49H2,2-6H3