2-[(4-nitrophenyl)methylsulfonyl]ethanoate

Systemtic Name: 2-[(4-nitrophenyl)methylsulfonyl]ethanoate Openeye Name: 2-[(4-nitrophenyl)methylsulfonyl]acetate CAS Name: 2-[(4-nitrophenyl)methylsulfonyl]acetate IUPAC Name: 2-[(4-nitrophenyl)methylsulfonyl]acetate Traditional Name: 2-(4-nitrobenzyl)sulfonylacetate Formula: C9H8NO6S- MolecularWeight: 258.22792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9NO6S/c11-9(12)6-17(15,16)5-7-1-3-8(4-2-7)10(13)14/h1-4H,5-6H2,(H,11,12)/p-1