2-decylsulfanyl-5-[1-(5-decylsulfanyl-1H-pyrrol-2-yl)-2-hexyl-octyl]-1H-pyrrole

Systemtic Name: 2-decylsulfanyl-5-[1-(5-decylsulfanyl-1H-pyrrol-2-yl)-2-hexyl-octyl]-1H-pyrrole Openeye Name: 2-decylsulfanyl-5-[1-(5-decylsulfanyl-1H-pyrrol-2-yl)-2-hexyl-octyl]-1H-pyrrole CAS Name: 2-(decylthio)-5-[1-[5-(decylthio)-1H-pyrrol-2-yl]-2-hexyloctyl]-1H-pyrrole IUPAC Name: 2-decylsulfanyl-5-[1-(5-decylsulfanyl-1H-pyrrol-2-yl)-2-hexyloctyl]-1H-pyrrole Traditional Name: 2-(decylthio)-5-[1-[5-(decylthio)-1H-pyrrol-2-yl]-2-hexyl-octyl]-1H-pyrrole Formula: C42H76N2S2 MolecularWeight: 673.19624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=CC=C(N1)C(C2=CC=C(N2)SCCCCCCCCCC)C(CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCCCCCSC1=CC=C(N1)C(C2=CC=C(N2)SCCCCCCCCCC)C(CCCCCC)CCCCCC

InChI

InChI=1S/C42H76N2S2/c1-5-9-13-17-19-21-23-27-35-45-40-33-31-38(43-40)42(37(29-25-15-11-7-3)30-26-16-12-8-4)39-32-34-41(44-39)46-36-28-24-22-20-18-14-10-6-2/h31-34,37,42-44H,5-30,35-36H2,1-4H3