3-[(3-nitrophenyl)methylsulfonyl]propanoate

Systemtic Name: 3-[(3-nitrophenyl)methylsulfonyl]propanoate Openeye Name: 3-[(3-nitrophenyl)methylsulfonyl]propanoate CAS Name: 3-[(3-nitrophenyl)methylsulfonyl]propanoate IUPAC Name: 3-[(3-nitrophenyl)methylsulfonyl]propanoate Traditional Name: 3-(3-nitrobenzyl)sulfonylpropionate Formula: C10H10NO6S- MolecularWeight: 272.2545

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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)/p-1