2,3,6,7,10,11-hexakis(phenylsulfanyl)triphenylene

Systemtic Name: 2,3,6,7,10,11-hexakis(phenylsulfanyl)triphenylene Openeye Name: 2,3,6,7,10,11-hexakis(phenylsulfanyl)triphenylene CAS Name: 2,3,6,7,10,11-hexakis(phenylthio)triphenylene IUPAC Name: 2,3,6,7,10,11-hexakis(phenylsulfanyl)triphenylene Traditional Name: 2,3,6,7,10,11-hexakis(phenylthio)triphenylene Formula: C54H36S6 MolecularWeight: 877.25364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)SC6=CC=CC=C6)SC7=CC=CC=C7)SC8=CC=CC=C8)SC9=CC=CC=C9)SC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C3C(=C2)C4=CC(=C(C=C4C5=CC(=C(C=C35)SC6=CC=CC=C6)SC7=CC=CC=C7)SC8=CC=CC=C8)SC9=CC=CC=C9)SC1=CC=CC=C1

InChI

InChI=1S/C54H36S6/c1-7-19-37(20-8-1)55-49-31-43-44(32-50(49)56-38-21-9-2-10-22-38)46-34-52(58-40-25-13-4-14-26-40)54(60-42-29-17-6-18-30-42)36-48(46)47-35-53(59-41-27-15-5-16-28-41)51(33-45(43)47)57-39-23-11-3-12-24-39/h1-36H