2-(4-methylpent-4-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene

Systemtic Name: 2-(4-methylpent-4-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Openeye Name: 2-(4-methylpent-4-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene CAS Name: 2-(4-methylpent-4-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene IUPAC Name: 2-(4-methylpent-4-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Traditional Name: 2-(4-methylpent-4-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene Formula: C64H102S6 MolecularWeight: 1063.88468

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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)SCCCC(=C)C)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C64H102S6/c1-8-13-18-23-28-33-40-65-59-46-53-54-47-60(66-41-34-29-24-19-14-9-2)62(68-43-36-31-26-21-16-11-4)49-56(54)58-51-64(70-45-38-39-52(6)7)63(69-44-37-32-27-22-17-12-5)50-57(58)55(53)48-61(59)67-42-35-30-25-20-15-10-3/h46-51H,6,8-45H2,1-5,7H3