1-[[3-nitro-1-(trichloromethyl)cyclohexa-2,4-dien-1-yl]disulfanyl]ethanamine hydrochloride

Systemtic Name: 1-[[3-nitro-1-(trichloromethyl)cyclohexa-2,4-dien-1-yl]disulfanyl]ethanamine hydrochloride Openeye Name: 1-[[3-nitro-1-(trichloromethyl)cyclohexa-2,4-dien-1-yl]disulfanyl]ethanamine hydrochloride CAS Name: 1-[[3-nitro-1-(trichloromethyl)-1-cyclohexa-2,4-dienyl]disulfanyl]ethanamine hydrochloride IUPAC Name: 1-[[3-nitro-1-(trichloromethyl)cyclohexa-2,4-dien-1-yl]disulfanyl]ethanamine hydrochloride Traditional Name: 1-[[3-nitro-1-(trichloromethyl)cyclohexa-2,4-dien-1-yl]disulfanyl]ethylamine hydrochloride Formula: C9H12Cl4N2O2S2 MolecularWeight: 386.14578

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Descriptors Computed from Structure

Canonical SMILES:

CC(N)SSC1(CC=CC(=C1)[N+](=O)[O-])C(Cl)(Cl)Cl.Cl

Isomeric SMILES

CC(N)SSC1(CC=CC(=C1)[N+](=O)[O-])C(Cl)(Cl)Cl.Cl

InChI

InChI=1S/C9H11Cl3N2O2S2.ClH/c1-6(13)17-18-8(9(10,11)12)4-2-3-7(5-8)14(15)16;/h2-3,5-6H,4,13H2,1H3;1H