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1,3,6,8-tetrakis(octylsulfanyl)pyrene

1,3,6,8-tetrakis(octylsulfanyl)pyrene

Systemtic Name:1,3,6,8-tetrakis(octylsulfanyl)pyrene
Openeye Name:1,3,6,8-tetrakis(octylsulfanyl)pyrene
CAS Name:1,3,6,8-tetrakis(octylthio)pyrene
IUPAC Name:1,3,6,8-tetrakis(octylsulfanyl)pyrene
Traditional Name:1,3,6,8-tetrakis(octylthio)pyrene
Formula: C48H74S4
MolecularWeight: 779.36116
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC


Isomeric SMILES

CCCCCCCCSC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)SCCCCCCCC)SCCCCCCCC)SCCCCCCCC


InChI

InChI=1S/C48H74S4/c1-5-9-13-17-21-25-33-49-43-37-44(50-34-26-22-18-14-10-6-2)40-31-32-42-46(52-36-28-24-20-16-12-8-4)38-45(51-35-27-23-19-15-11-7-3)41-30-29-39(43)47(40)48(41)42/h29-32,37-38H,5-28,33-36H2,1-4H3


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