2-(3-nitrophenyl)sulfanylpropanoic acid

Systemtic Name: 2-(3-nitrophenyl)sulfanylpropanoic acid Openeye Name: 2-(3-nitrophenyl)sulfanylpropanoic acid CAS Name: 2-[(3-nitrophenyl)thio]propanoic acid IUPAC Name: 2-(3-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2-[(3-nitrophenyl)thio]propionic acid Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO4S/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-6H,1H3,(H,11,12)