2-heptadec-16-enylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene

Systemtic Name: 2-heptadec-16-enylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Openeye Name: 2-heptadec-16-enylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene CAS Name: 2-(heptadec-16-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene IUPAC Name: 2-heptadec-16-enylsulfanyl-3,6,7,10,11-pentakis(octylsulfanyl)triphenylene Traditional Name: 2-(heptadec-16-enylthio)-3,6,7,10,11-pentakis(octylthio)triphenylene Formula: C75H124S6 MolecularWeight: 1218.17706

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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)SCCCCCCCCCCCCCCCC=C)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C75H124S6/c1-7-13-19-25-31-32-33-34-35-36-37-38-39-45-51-57-81-75-63-69-67-61-73(79-55-49-43-29-23-17-11-5)71(77-53-47-41-27-21-15-9-3)59-65(67)64-58-70(76-52-46-40-26-20-14-8-2)72(78-54-48-42-28-22-16-10-4)60-66(64)68(69)62-74(75)80-56-50-44-30-24-18-12-6/h7,58-63H,1,8-57H2,2-6H3