2-nitro-3-phenoxy-2-sulfanyl-propanoic acid

Systemtic Name: 2-nitro-3-phenoxy-2-sulfanyl-propanoic acid Openeye Name: 2-nitro-3-phenoxy-2-sulfanyl-propanoic acid CAS Name: 2-mercapto-2-nitro-3-phenoxypropanoic acid IUPAC Name: 2-nitro-3-phenoxy-2-sulfanylpropanoic acid Traditional Name: 2-mercapto-2-nitro-3-phenoxy-propionic acid Formula: C9H9NO5S MolecularWeight: 243.23646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO5S/c11-8(12)9(16,10(13)14)6-15-7-4-2-1-3-5-7/h1-5,16H,6H2,(H,11,12)