2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]-2-nitro-phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]-2-nitro-phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]-2-nitro-phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]-2-nitrophenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]-2-nitrophenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]-2-nitro-phenyl]propionic acid Formula: C20H23NO9S MolecularWeight: 453.46292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=C(C=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(CC1=C(C=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H23NO9S/c1-3-28-19(20(22)23)12-15-6-9-17(13-18(15)21(24)25)29-11-10-14-4-7-16(8-5-14)30-31(2,26)27/h4-9,13,19H,3,10-12H2,1-2H3,(H,22,23)