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

Systemtic Name: 2-(3-nitro-2-sulfanyl-phenoxy)propanoic acid Openeye Name: 2-(3-nitro-2-sulfanyl-phenoxy)propanoic acid CAS Name: 2-(2-mercapto-3-nitrophenoxy)propanoic acid IUPAC Name: 2-(3-nitro-2-sulfanylphenoxy)propanoic acid Traditional Name: 2-(2-mercapto-3-nitro-phenoxy)propionic acid Formula: C9H9NO5S MolecularWeight: 243.23646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=CC(=C1S)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)OC1=CC=CC(=C1S)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO5S/c1-5(9(11)12)15-7-4-2-3-6(8(7)16)10(13)14/h2-5,16H,1H3,(H,11,12)