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

Systemtic Name: 2,3,6,7,10-pentakis(octylsulfanyl)-11-pent-4-enylsulfanyl-triphenylene Openeye Name: 2,3,6,7,10-pentakis(octylsulfanyl)-11-pent-4-enylsulfanyl-triphenylene CAS Name: 2,3,6,7,10-pentakis(octylthio)-11-(pent-4-enylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(octylsulfanyl)-11-pent-4-enylsulfanyltriphenylene Traditional Name: 2,3,6,7,10-pentakis(octylthio)-11-(pent-4-enylthio)triphenylene Formula: C63H100S6 MolecularWeight: 1049.8581

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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)SCCCC=C)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C63H100S6/c1-7-13-19-24-29-35-41-65-59-47-53-52(46-58(59)64-40-34-18-12-6)54-48-60(66-42-36-30-25-20-14-8-2)62(68-44-38-32-27-22-16-10-4)50-56(54)57-51-63(69-45-39-33-28-23-17-11-5)61(49-55(53)57)67-43-37-31-26-21-15-9-3/h12,46-51H,6-11,13-45H2,1-5H3