3-[2-(2-cyano-4-ethylsulfonyl-phenoxy)-4-fluoranyl-phenyl]propanoic acid

Systemtic Name: 3-[2-(2-cyano-4-ethylsulfonyl-phenoxy)-4-fluoranyl-phenyl]propanoic acid Openeye Name: 3-[2-(2-cyano-4-ethylsulfonyl-phenoxy)-4-fluoro-phenyl]propanoic acid CAS Name: 3-[2-(2-cyano-4-ethylsulfonylphenoxy)-4-fluorophenyl]propanoic acid IUPAC Name: 3-[2-(2-cyano-4-ethylsulfonylphenoxy)-4-fluorophenyl]propanoic acid Traditional Name: 3-[2-(2-cyano-4-esyl-phenoxy)-4-fluoro-phenyl]propionic acid Formula: C18H16FNO5S MolecularWeight: 377.386743

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)F)CCC(=O)O)C#N

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)F)CCC(=O)O)C#N

InChI

InChI=1S/C18H16FNO5S/c1-2-26(23,24)15-6-7-16(13(9-15)11-20)25-17-10-14(19)5-3-12(17)4-8-18(21)22/h3,5-7,9-10H,2,4,8H2,1H3,(H,21,22)