2,3,6,7,10-pentakis(hexylsulfanyl)-11-pentadec-14-enylsulfanyl-triphenylene

Systemtic Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-pentadec-14-enylsulfanyl-triphenylene Openeye Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-pentadec-14-enylsulfanyl-triphenylene CAS Name: 2,3,6,7,10-pentakis(hexylthio)-11-(pentadec-14-enylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-pentadec-14-enylsulfanyltriphenylene Traditional Name: 2,3,6,7,10-pentakis(hexylthio)-11-(pentadec-14-enylthio)triphenylene Formula: C63H100S6 MolecularWeight: 1049.8581

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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)SCCCCCCCCCCCCCC=C)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C63H100S6/c1-7-13-19-25-26-27-28-29-30-31-32-33-39-45-69-63-51-57-55-49-61(67-43-37-23-17-11-5)59(65-41-35-21-15-9-3)47-53(55)52-46-58(64-40-34-20-14-8-2)60(66-42-36-22-16-10-4)48-54(52)56(57)50-62(63)68-44-38-24-18-12-6/h7,46-51H,1,8-45H2,2-6H3