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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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