[4-(12-bromanyldodecylsulfanyl)-5-naphthalen-2-yl-1,3-dithiol-2-ylidene]-dimethyl-azanium bromide

Systemtic Name: [4-(12-bromanyldodecylsulfanyl)-5-naphthalen-2-yl-1,3-dithiol-2-ylidene]-dimethyl-azanium bromide Openeye Name: [4-(12-bromododecylsulfanyl)-5-(2-naphthyl)-1,3-dithiol-2-ylidene]-dimethyl-ammonium bromide CAS Name: [4-(12-bromododecylthio)-5-(2-naphthalenyl)-1,3-dithiol-2-ylidene]-dimethylammonium bromide IUPAC Name: [4-(12-bromododecylsulfanyl)-5-naphthalen-2-yl-1,3-dithiol-2-ylidene]-dimethylazanium bromide Traditional Name: [4-(12-bromododecylthio)-5-(2-naphthyl)-1,3-dithiol-2-ylidene]-dimethyl-ammonium bromide Formula: C27H37Br2NS3 MolecularWeight: 631.59238

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1SC(=C(S1)SCCCCCCCCCCCCBr)C2=CC3=CC=CC=C3C=C2)C.[Br-]

Isomeric SMILES

C[N+](=C1SC(=C(S1)SCCCCCCCCCCCCBr)C2=CC3=CC=CC=C3C=C2)C.[Br-]

InChI

InChI=1S/C27H37BrNS3.BrH/c1-29(2)27-31-25(24-18-17-22-15-11-12-16-23(22)21-24)26(32-27)30-20-14-10-8-6-4-3-5-7-9-13-19-28;/h11-12,15-18,21H,3-10,13-14,19-20H2,1-2H3;1H/q+1;/p-1