3-(4-nitrophenyl)-2-sulfanylidene-propanoic acid

Systemtic Name: 3-(4-nitrophenyl)-2-sulfanylidene-propanoic acid Openeye Name: 3-(4-nitrophenyl)-2-thioxo-propanoic acid CAS Name: 3-(4-nitrophenyl)-2-sulfanylidenepropanoic acid IUPAC Name: 3-(4-nitrophenyl)-2-sulfanylidenepropanoic acid Traditional Name: 3-(4-nitrophenyl)-2-thioxo-propionic acid Formula: C9H7NO4S MolecularWeight: 225.22118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=S)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=S)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H7NO4S/c11-9(12)8(15)5-6-1-3-7(4-2-6)10(13)14/h1-4H,5H2,(H,11,12)