2-octadecylsulfanylquinoline

Systemtic Name: 2-octadecylsulfanylquinoline Openeye Name: 2-octadecylsulfanylquinoline CAS Name: 2-(octadecylthio)quinoline IUPAC Name: 2-octadecylsulfanylquinoline Traditional Name: 2-(stearylthio)quinoline Formula: C27H43NS MolecularWeight: 413.70202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C27H43NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-29-27-23-22-25-20-17-18-21-26(25)28-27/h17-18,20-23H,2-16,19,24H2,1H3