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

Systemtic Name: 2-bromanyl-3,6,7,10,11-pentakis(hexylsulfanyl)triphenylene Openeye Name: 2-bromo-3,6,7,10,11-pentakis(hexylsulfanyl)triphenylene CAS Name: 2-bromo-3,6,7,10,11-pentakis(hexylthio)triphenylene IUPAC Name: 2-bromo-3,6,7,10,11-pentakis(hexylsulfanyl)triphenylene Traditional Name: 2-bromo-3,6,7,10,11-pentakis(hexylthio)triphenylene Formula: C48H71BrS5 MolecularWeight: 888.30634

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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)Br)SCCCCCC)SCCCCCC)SCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C48H71BrS5/c1-6-11-16-21-26-50-44-32-38-37(31-43(44)49)39-33-45(51-27-22-17-12-7-2)47(53-29-24-19-14-9-4)35-41(39)42-36-48(54-30-25-20-15-10-5)46(34-40(38)42)52-28-23-18-13-8-3/h31-36H,6-30H2,1-5H3