2-[2-(4-ethylsulfonylphenyl)-3-methyl-4-nitro-phenoxy]ethanoic acid

Systemtic Name: 2-[2-(4-ethylsulfonylphenyl)-3-methyl-4-nitro-phenoxy]ethanoic acid Openeye Name: 2-[2-(4-ethylsulfonylphenyl)-3-methyl-4-nitro-phenoxy]acetic acid CAS Name: 2-[2-(4-ethylsulfonylphenyl)-3-methyl-4-nitrophenoxy]acetic acid IUPAC Name: 2-[2-(4-ethylsulfonylphenyl)-3-methyl-4-nitrophenoxy]acetic acid Traditional Name: 2-[2-(4-esylphenyl)-3-methyl-4-nitro-phenoxy]acetic acid Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2C)[N+](=O)[O-])OCC(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2C)[N+](=O)[O-])OCC(=O)O

InChI

InChI=1S/C17H17NO7S/c1-3-26(23,24)13-6-4-12(5-7-13)17-11(2)14(18(21)22)8-9-15(17)25-10-16(19)20/h4-9H,3,10H2,1-2H3,(H,19,20)