3-(4-chloranyl-2-ethoxycarbonyl-6-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4-chloranyl-2-ethoxycarbonyl-6-nitro-phenyl)sulfanylpropanoic acid Openeye Name: 3-(4-chloro-2-ethoxycarbonyl-6-nitro-phenyl)sulfanylpropanoic acid CAS Name: 3-[(4-chloro-2-ethoxycarbonyl-6-nitrophenyl)thio]propanoic acid IUPAC Name: 3-(4-chloro-2-ethoxycarbonyl-6-nitrophenyl)sulfanylpropanoic acid Traditional Name: 3-[(2-carbethoxy-4-chloro-6-nitro-phenyl)thio]propionic acid Formula: C12H12ClNO6S MolecularWeight: 333.74478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1SCCC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1SCCC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H12ClNO6S/c1-2-20-12(17)8-5-7(13)6-9(14(18)19)11(8)21-4-3-10(15)16/h5-6H,2-4H2,1H3,(H,15,16)