2,3,6,7,10-pentakis(hexylsulfanyl)-11-(2-methylprop-1-enylsulfanyl)triphenylene

Systemtic Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-(2-methylprop-1-enylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-(2-methylprop-1-enylsulfanyl)triphenylene CAS Name: 2,3,6,7,10-pentakis(hexylthio)-11-(2-methylprop-1-enylthio)triphenylene IUPAC Name: 2,3,6,7,10-pentakis(hexylsulfanyl)-11-(2-methylprop-1-enylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10-pentakis(hexylthio)-11-(2-methylprop-1-enylthio)triphenylene Formula: C52H78S6 MolecularWeight: 895.56572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H78S6/c1-8-13-18-23-28-53-47-33-41-42-34-48(54-29-24-19-14-9-2)50(56-31-26-21-16-11-4)36-44(42)46-38-52(58-39-40(6)7)51(57-32-27-22-17-12-5)37-45(46)43(41)35-49(47)55-30-25-20-15-10-3/h33-39H,8-32H2,1-7H3