2-[(3,4-dimethoxyphenyl)methylsulfonyl]-2-nitro-ethanoic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylsulfonyl]-2-nitro-ethanoic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methylsulfonyl]-2-nitro-acetic acid CAS Name: 2-[(3,4-dimethoxyphenyl)methylsulfonyl]-2-nitroacetic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylsulfonyl]-2-nitroacetic acid Traditional Name: 2-nitro-2-veratrylsulfonyl-acetic acid Formula: C11H13NO8S MolecularWeight: 319.28782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO8S/c1-19-8-4-3-7(5-9(8)20-2)6-21(17,18)10(11(13)14)12(15)16/h3-5,10H,6H2,1-2H3,(H,13,14)