ethyl methanoate; methane; methyl methanoate; 2-methylsulfanylethanamine; nitrobenzene; trihydrochloride

Systemtic Name: ethyl methanoate; methane; methyl methanoate; 2-methylsulfanylethanamine; nitrobenzene; trihydrochloride Openeye Name: ethyl formate; methane; methyl formate; 2-methylsulfanylethanamine; nitrobenzene; trihydrochloride CAS Name: formic acid ethyl ester; formic acid methyl ester; methane; 2-(methylthio)ethanamine; nitrobenzene; trihydrochloride IUPAC Name: ethyl formate; methane; methyl formate; 2-methylsulfanylethanamine; nitrobenzene; trihydrochloride Traditional Name: formic acid ethyl ester; formic acid methyl ester; methane; 2-(methylthio)ethylamine; nitrobenzene; trihydrochloride Formula: C15H31Cl3N2O6S MolecularWeight: 473.84044

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Descriptors Computed from Structure

Canonical SMILES:

C.CCOC=O.COC=O.CSCCN.C1=CC=C(C=C1)[N+](=O)[O-].Cl.Cl.Cl

Isomeric SMILES

C.CCOC=O.COC=O.CSCCN.C1=CC=C(C=C1)[N+](=O)[O-].Cl.Cl.Cl

InChI

InChI=1S/C6H5NO2.C3H9NS.C3H6O2.C2H4O2.CH4.3ClH/c8-7(9)6-4-2-1-3-5-6;1-5-3-2-4;1-2-5-3-4;1-4-2-3;;;;/h1-5H;2-4H2,1H3;3H,2H2,1H3;2H,1H3;1H4;3*1H