2-(15-chloranylhexadec-15-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene

Systemtic Name: 2-(15-chloranylhexadec-15-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Openeye Name: 2-(15-chlorohexadec-15-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene CAS Name: 2-(15-chlorohexadec-15-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene IUPAC Name: 2-(15-chlorohexadec-15-enylsulfanyl)-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Traditional Name: 2-(15-chlorohexadec-15-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene Formula: C74H121ClS6 MolecularWeight: 1238.59554

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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)SCCCCCCCCCCCCCCC(=C)Cl)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C74H121ClS6/c1-7-12-17-22-36-43-50-76-69-56-63-64-57-70(77-51-44-37-23-18-13-8-2)72(79-53-46-39-25-20-15-10-4)59-66(64)68-61-74(81-55-48-41-34-32-30-28-27-29-31-33-35-42-49-62(6)75)73(80-54-47-40-26-21-16-11-5)60-67(68)65(63)58-71(69)78-52-45-38-24-19-14-9-3/h56-61H,6-55H2,1-5H3