1-(11-decylsulfanylundecyl)-3-phenyl-2H-imidazole bromide

Systemtic Name: 1-(11-decylsulfanylundecyl)-3-phenyl-2H-imidazole bromide Openeye Name: 1-(11-decylsulfanylundecyl)-3-phenyl-2H-imidazole bromide CAS Name: 1-[11-(decylthio)undecyl]-3-phenyl-2H-imidazole bromide IUPAC Name: 1-(11-decylsulfanylundecyl)-3-phenyl-2H-imidazole bromide Traditional Name: 1-[11-(decylthio)undecyl]-3-phenyl-4-imidazoline bromide Formula: C30H52BrN2S- MolecularWeight: 552.71628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSCCCCCCCCCCCN1CN(C=C1)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCSCCCCCCCCCCCN1CN(C=C1)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C30H52N2S.BrH/c1-2-3-4-5-6-11-14-20-27-33-28-21-15-12-9-7-8-10-13-19-24-31-25-26-32(29-31)30-22-17-16-18-23-30;/h16-18,22-23,25-26H,2-15,19-21,24,27-29H2,1H3;1H/p-1