3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfonyl]propanoic acid

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfonyl]propanoic acid Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfonyl]propanoic acid CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]propanoic acid IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]propanoic acid Traditional Name: 3-(3-fluoro-4-methoxy-benzyl)sulfonylpropionic acid Formula: C11H13FO5S MolecularWeight: 276.281323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)CCC(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)CCC(=O)O)F

InChI

InChI=1S/C11H13FO5S/c1-17-10-3-2-8(6-9(10)12)7-18(15,16)5-4-11(13)14/h2-3,6H,4-5,7H2,1H3,(H,13,14)