3-[(4-methoxy-3-nitro-phenyl)methylsulfonyl]propanoate

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfonyl]propanoate Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methylsulfonyl]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)methylsulfonyl]propanoate IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methylsulfonyl]propanoate Traditional Name: 3-(4-methoxy-3-nitro-benzyl)sulfonylpropionate Formula: C11H12NO7S- MolecularWeight: 302.28048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)CCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)CCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13NO7S/c1-19-10-3-2-8(6-9(10)12(15)16)7-20(17,18)5-4-11(13)14/h2-3,6H,4-5,7H2,1H3,(H,13,14)/p-1