3-(2-azanylethylsulfanylmethyl)-2-nitro-phenol hydrobromide

Systemtic Name: 3-(2-azanylethylsulfanylmethyl)-2-nitro-phenol hydrobromide Openeye Name: 3-(2-aminoethylsulfanylmethyl)-2-nitro-phenol hydrobromide CAS Name: 3-[(2-aminoethylthio)methyl]-2-nitrophenol hydrobromide IUPAC Name: 3-(2-aminoethylsulfanylmethyl)-2-nitrophenol hydrobromide Traditional Name: 3-[(2-aminoethylthio)methyl]-2-nitro-phenol hydrobromide Formula: C9H13BrN2O3S MolecularWeight: 309.18012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)O)[N+](=O)[O-])CSCCN.Br

Isomeric SMILES

C1=CC(=C(C(=C1)O)[N+](=O)[O-])CSCCN.Br

InChI

InChI=1S/C9H12N2O3S.BrH/c10-4-5-15-6-7-2-1-3-8(12)9(7)11(13)14;/h1-3,12H,4-6,10H2;1H