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

Systemtic Name: 2,3,6,7,10-pentakis(octylsulfanyl)-11-prop-2-enylsulfanyl-triphenylene Openeye Name: 2-allylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene CAS Name: 2,3,6,7,10-pentakis(octylthio)-11-(prop-2-enylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(octylsulfanyl)-11-prop-2-enylsulfanyltriphenylene Traditional Name: 2-(allylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene Formula: C61H96S6 MolecularWeight: 1021.80494

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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)SCC=C)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C61H96S6/c1-7-13-18-23-28-33-39-63-57-45-51-50(44-56(57)62-38-12-6)52-46-58(64-40-34-29-24-19-14-8-2)60(66-42-36-31-26-21-16-10-4)48-54(52)55-49-61(67-43-37-32-27-22-17-11-5)59(47-53(51)55)65-41-35-30-25-20-15-9-3/h12,44-49H,6-11,13-43H2,1-5H3