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

Systemtic Name: [4-(12-bromanyldodecylsulfanyl)-5-naphthalen-2-yl-1,3-dithiol-2-ylidene]-dimethyl-azanium Openeye Name: [4-(12-bromododecylsulfanyl)-5-(2-naphthyl)-1,3-dithiol-2-ylidene]-dimethyl-ammonium CAS Name: [4-(12-bromododecylthio)-5-(2-naphthalenyl)-1,3-dithiol-2-ylidene]-dimethylammonium IUPAC Name: [4-(12-bromododecylsulfanyl)-5-naphthalen-2-yl-1,3-dithiol-2-ylidene]-dimethylazanium Traditional Name: [4-(12-bromododecylthio)-5-(2-naphthyl)-1,3-dithiol-2-ylidene]-dimethyl-ammonium Formula: C27H37BrNS3+ MolecularWeight: 551.68838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37BrNS3/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/q+1