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

Systemtic Name: 2-heptadec-16-enylsulfanyl-3,6,7,10,11-pentakis(hexylsulfanyl)triphenylene Openeye Name: 2-heptadec-16-enylsulfanyl-3,6,7,10,11-pentakis(hexylsulfanyl)triphenylene CAS Name: 2-(heptadec-16-enylthio)-3,6,7,10,11-pentakis(hexylthio)triphenylene IUPAC Name: 2-heptadec-16-enylsulfanyl-3,6,7,10,11-pentakis(hexylsulfanyl)triphenylene Traditional Name: 2-(heptadec-16-enylthio)-3,6,7,10,11-pentakis(hexylthio)triphenylene Formula: C65H104S6 MolecularWeight: 1077.91126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCC)SCCCCCCCCCCCCCCCC=C)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

CCCCCCSC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)SCCCCCC)SCCCCCCCCCCCCCCCC=C)SCCCCCC)SCCCCCC)SCCCCCC

InChI

InChI=1S/C65H104S6/c1-7-13-19-25-26-27-28-29-30-31-32-33-34-35-41-47-71-65-53-59-57-51-63(69-45-39-23-17-11-5)61(67-43-37-21-15-9-3)49-55(57)54-48-60(66-42-36-20-14-8-2)62(68-44-38-22-16-10-4)50-56(54)58(59)52-64(65)70-46-40-24-18-12-6/h7,48-53H,1,8-47H2,2-6H3