2-methoxy-4-methylsulfinyl-5-nitro-benzoic acid

Systemtic Name: 2-methoxy-4-methylsulfinyl-5-nitro-benzoic acid Openeye Name: 2-methoxy-4-methylsulfinyl-5-nitro-benzoic acid CAS Name: 2-methoxy-4-methylsulfinyl-5-nitrobenzoic acid IUPAC Name: 2-methoxy-4-methylsulfinyl-5-nitrobenzoic acid Traditional Name: 2-methoxy-4-methylsulfinyl-5-nitro-benzoic acid Formula: C9H9NO6S MolecularWeight: 259.23586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])S(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])S(=O)C

InChI

InChI=1S/C9H9NO6S/c1-16-7-4-8(17(2)15)6(10(13)14)3-5(7)9(11)12/h3-4H,1-2H3,(H,11,12)