3-[(2-methoxy-5-nitro-phenyl)methylsulfonyl]propanoic acid

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfonyl]propanoic acid Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfonyl]propanoic acid CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfonyl]propanoic acid IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfonyl]propanoic acid Traditional Name: 3-(2-methoxy-5-nitro-benzyl)sulfonylpropionic acid Formula: C11H13NO7S MolecularWeight: 303.28842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CS(=O)(=O)CCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C11H13NO7S/c1-19-10-3-2-9(12(15)16)6-8(10)7-20(17,18)5-4-11(13)14/h2-3,6H,4-5,7H2,1H3,(H,13,14)