N',N'-dimethylethane-1,2-diamine; 2-(3-nitrophenyl)sulfanylethanol

Systemtic Name: N',N'-dimethylethane-1,2-diamine; 2-(3-nitrophenyl)sulfanylethanol Openeye Name: N',N'-dimethylethane-1,2-diamine; 2-(3-nitrophenyl)sulfanylethanol CAS Name: N',N'-dimethylethane-1,2-diamine; 2-[(3-nitrophenyl)thio]ethanol IUPAC Name: N',N'-dimethylethane-1,2-diamine; 2-(3-nitrophenyl)sulfanylethanol Traditional Name: 2-aminoethyl(dimethyl)amine; 2-[(3-nitrophenyl)thio]ethanol Formula: C12H21N3O3S MolecularWeight: 287.37844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN.C1=CC(=CC(=C1)SCCO)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN.C1=CC(=CC(=C1)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C8H9NO3S.C4H12N2/c10-4-5-13-8-3-1-2-7(6-8)9(11)12;1-6(2)4-3-5/h1-3,6,10H,4-5H2;3-5H2,1-2H3