3-(4-nitrophenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4-nitrophenyl)sulfanylpropanoic acid Openeye Name: 3-(4-nitrophenyl)sulfanylpropanoic acid CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid IUPAC Name: 3-(4-nitrophenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCCC(=O)O

InChI

InChI=1S/C9H9NO4S/c11-9(12)5-6-15-8-3-1-7(2-4-8)10(13)14/h1-4H,5-6H2,(H,11,12)