2-dec-9-enylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene

Systemtic Name: 2-dec-9-enylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Openeye Name: 2-dec-9-enylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene CAS Name: 2-(dec-9-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene IUPAC Name: 2-dec-9-enylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Traditional Name: 2-(dec-9-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene Formula: C68H110S6 MolecularWeight: 1119.991

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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)SCCCCCCCCC=C)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C68H110S6/c1-7-13-19-25-31-32-38-44-50-74-68-56-62-60-54-66(72-48-42-36-29-23-17-11-5)64(70-46-40-34-27-21-15-9-3)52-58(60)57-51-63(69-45-39-33-26-20-14-8-2)65(71-47-41-35-28-22-16-10-4)53-59(57)61(62)55-67(68)73-49-43-37-30-24-18-12-6/h7,51-56H,1,8-50H2,2-6H3