3-[(2-nitrophenyl)methylsulfonyl]propanoic acid

Systemtic Name: 3-[(2-nitrophenyl)methylsulfonyl]propanoic acid Openeye Name: 3-[(2-nitrophenyl)methylsulfonyl]propanoic acid CAS Name: 3-[(2-nitrophenyl)methylsulfonyl]propanoic acid IUPAC Name: 3-[(2-nitrophenyl)methylsulfonyl]propanoic acid Traditional Name: 3-(2-nitrobenzyl)sulfonylpropionic acid Formula: C10H11NO6S MolecularWeight: 273.26244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO6S/c12-10(13)5-6-18(16,17)7-8-3-1-2-4-9(8)11(14)15/h1-4H,5-7H2,(H,12,13)