1-phenylethyl-bis(sulfanyl)-[2,3,3-tris(chloranyl)prop-2-enoxycarbonyl]azanium

Systemtic Name: 1-phenylethyl-bis(sulfanyl)-[2,3,3-tris(chloranyl)prop-2-enoxycarbonyl]azanium Openeye Name: 1-phenylethyl-bis(sulfanyl)-(2,3,3-trichloroallyloxycarbonyl)ammonium CAS Name: dimercapto-[oxo(2,3,3-trichloroprop-2-enoxy)methyl]-(1-phenylethyl)ammonium IUPAC Name: 1-phenylethyl-bis(sulfanyl)-(2,3,3-trichloroprop-2-enoxycarbonyl)azanium Traditional Name: dimercapto-(1-phenylethyl)-(2,3,3-trichloroallyloxycarbonyl)ammonium Formula: C12H13Cl3NO2S2+ MolecularWeight: 373.72612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+](C(=O)OCC(=C(Cl)Cl)Cl)(S)S

Isomeric SMILES

CC(C1=CC=CC=C1)[N+](C(=O)OCC(=C(Cl)Cl)Cl)(S)S

InChI

InChI=1S/C12H13Cl3NO2S2/c1-8(9-5-3-2-4-6-9)16(19,20)12(17)18-7-10(13)11(14)15/h2-6,8,19-20H,7H2,1H3/q+1