2,3,6,7,10-pentakis(hexylsulfanyl)-11-pent-4-enylsulfanyl-triphenylene

Systemtic Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-pent-4-enylsulfanyl-triphenylene Openeye Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-pent-4-enylsulfanyl-triphenylene CAS Name: 2,3,6,7,10-pentakis(hexylthio)-11-(pent-4-enylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-pent-4-enylsulfanyltriphenylene Traditional Name: 2,3,6,7,10-pentakis(hexylthio)-11-(pent-4-enylthio)triphenylene Formula: C53H80S6 MolecularWeight: 909.5923

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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)SCCCC=C)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C53H80S6/c1-7-13-19-25-31-55-49-37-43-42(36-48(49)54-30-24-18-12-6)44-38-50(56-32-26-20-14-8-2)52(58-34-28-22-16-10-4)40-46(44)47-41-53(59-35-29-23-17-11-5)51(39-45(43)47)57-33-27-21-15-9-3/h12,36-41H,6-11,13-35H2,1-5H3