2-[4-(1,3-benzodioxol-5-yl)-3-fluoranyl-phenyl]propanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-3-fluoranyl-phenyl]propanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-3-fluoro-phenyl]propanoic acid CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-3-fluorophenyl]propanoic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-3-fluorophenyl]propanoic acid Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-3-fluoro-phenyl]propionic acid Formula: C16H13FO4 MolecularWeight: 288.270423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC3=C(C=C2)OCO3)F)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC3=C(C=C2)OCO3)F)C(=O)O

InChI

InChI=1S/C16H13FO4/c1-9(16(18)19)10-2-4-12(13(17)6-10)11-3-5-14-15(7-11)21-8-20-14/h2-7,9H,8H2,1H3,(H,18,19)