2-(2-methylprop-1-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene

Systemtic Name: 2-(2-methylprop-1-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Openeye Name: 2-(2-methylprop-1-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene CAS Name: 2-(2-methylprop-1-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene IUPAC Name: 2-(2-methylprop-1-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Traditional Name: 2-(2-methylprop-1-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene Formula: C62H98S6 MolecularWeight: 1035.83152

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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)SC=C(C)C)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C62H98S6/c1-8-13-18-23-28-33-38-63-57-43-51-52-44-58(64-39-34-29-24-19-14-9-2)60(66-41-36-31-26-21-16-11-4)46-54(52)56-48-62(68-49-50(6)7)61(67-42-37-32-27-22-17-12-5)47-55(56)53(51)45-59(57)65-40-35-30-25-20-15-10-3/h43-49H,8-42H2,1-7H3