4-(2-ethylsulfonylethoxy)-3-nitro-benzoic acid

Systemtic Name: 4-(2-ethylsulfonylethoxy)-3-nitro-benzoic acid Openeye Name: 4-(2-ethylsulfonylethoxy)-3-nitro-benzoic acid CAS Name: 4-(2-ethylsulfonylethoxy)-3-nitrobenzoic acid IUPAC Name: 4-(2-ethylsulfonylethoxy)-3-nitrobenzoic acid Traditional Name: 4-(2-esylethoxy)-3-nitro-benzoic acid Formula: C11H13NO7S MolecularWeight: 303.28842

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCOC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)CCOC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO7S/c1-2-20(17,18)6-5-19-10-4-3-8(11(13)14)7-9(10)12(15)16/h3-4,7H,2,5-6H2,1H3,(H,13,14)