3-(2-nitrophenyl)sulfanylpropanoate

Systemtic Name: 3-(2-nitrophenyl)sulfanylpropanoate Openeye Name: 3-(2-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(2-nitrophenyl)thio]propanoate IUPAC Name: 3-(2-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(2-nitrophenyl)thio]propionate Formula: C9H8NO4S- MolecularWeight: 226.22912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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