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

Systemtic Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-prop-2-enylsulfanyl-triphenylene Openeye Name: 2-allylsulfanyl-3,6,7,10,11-pentakis(hexylsulfanyl)triphenylene CAS Name: 2,3,6,7,10-pentakis(hexylthio)-11-(prop-2-enylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-prop-2-enylsulfanyltriphenylene Traditional Name: 2-(allylthio)-3,6,7,10,11-pentakis(hexylthio)triphenylene Formula: C51H76S6 MolecularWeight: 881.53914

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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)SCC=C)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C51H76S6/c1-7-13-18-23-29-53-47-35-41-40(34-46(47)52-28-12-6)42-36-48(54-30-24-19-14-8-2)50(56-32-26-21-16-10-4)38-44(42)45-39-51(57-33-27-22-17-11-5)49(37-43(41)45)55-31-25-20-15-9-3/h12,34-39H,6-11,13-33H2,1-5H3