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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S(=O)(=O)CC1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

CC(C(=O)O)S(=O)(=O)CC1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C11H13NO7S/c1-7(11(13)14)20(17,18)6-8-5-9(12(15)16)3-4-10(8)19-2/h3-5,7H,6H2,1-2H3,(H,13,14)