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2-azanyl-3-(2,4-dinitrophenyl)sulfanyl-propanoic acid

2-azanyl-3-(2,4-dinitrophenyl)sulfanyl-propanoic acid

Systemtic Name:2-azanyl-3-(2,4-dinitrophenyl)sulfanyl-propanoic acid
Openeye Name:2-amino-3-(2,4-dinitrophenyl)sulfanyl-propanoic acid
CAS Name:2-amino-3-[(2,4-dinitrophenyl)thio]propanoic acid
IUPAC Name:2-amino-3-(2,4-dinitrophenyl)sulfanylpropanoic acid
Traditional Name:2-amino-3-[(2,4-dinitrophenyl)thio]propionic acid
Formula: C9H9N3O6S
MolecularWeight: 287.24926
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)O)N


Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)O)N


InChI

InChI=1S/C9H9N3O6S/c10-6(9(13)14)4-19-8-2-1-5(11(15)16)3-7(8)12(17)18/h1-3,6H,4,10H2,(H,13,14)


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