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

Systemtic Name: 2-(6-methylhept-6-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Openeye Name: 2-(6-methylhept-6-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene CAS Name: 2-(6-methylhept-6-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene IUPAC Name: 2-(6-methylhept-6-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Traditional Name: 2-(6-methylhept-6-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene Formula: C66H106S6 MolecularWeight: 1091.93784

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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)SCCCCCC(=C)C)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C66H106S6/c1-8-13-18-23-28-35-42-67-61-48-55-56-49-62(68-43-36-29-24-19-14-9-2)64(70-45-38-31-26-21-16-11-4)51-58(56)60-53-66(72-47-40-33-34-41-54(6)7)65(71-46-39-32-27-22-17-12-5)52-59(60)57(55)50-63(61)69-44-37-30-25-20-15-10-3/h48-53H,6,8-47H2,1-5,7H3