(4-dodecylsulfanylphenyl)-ethanethioyl-methyl-phenyl-azanium

Systemtic Name: (4-dodecylsulfanylphenyl)-ethanethioyl-methyl-phenyl-azanium Openeye Name: (4-dodecylsulfanylphenyl)-ethanethioyl-methyl-phenyl-ammonium CAS Name: [4-(dodecylthio)phenyl]-methyl-phenyl-(1-sulfanylideneethyl)ammonium IUPAC Name: (4-dodecylsulfanylphenyl)-ethanethioyl-methyl-phenylazanium Traditional Name: [4-(laurylthio)phenyl]-methyl-phenyl-thioacetyl-ammonium Formula: C27H40NS2+ MolecularWeight: 442.7432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC=C(C=C1)[N+](C)(C2=CC=CC=C2)C(=S)C

Isomeric SMILES

CCCCCCCCCCCCSC1=CC=C(C=C1)[N+](C)(C2=CC=CC=C2)C(=S)C

InChI

InChI=1S/C27H40NS2/c1-4-5-6-7-8-9-10-11-12-16-23-30-27-21-19-26(20-22-27)28(3,24(2)29)25-17-14-13-15-18-25/h13-15,17-22H,4-12,16,23H2,1-3H3/q+1