O1-ethyl O4-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl] ester IUPAC Name: 1-O-ethyl 4-O-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl] ester Formula: C21H19FO6 MolecularWeight: 386.370363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC1=C2C(=CC(=C1)F)COC(O2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC1=C2C(=CC(=C1)F)CO[C@@H](O2)C3=CC=CC=C3

InChI

InChI=1S/C21H19FO6/c1-2-25-18(23)8-9-19(24)26-12-15-10-17(22)11-16-13-27-21(28-20(15)16)14-6-4-3-5-7-14/h3-11,21H,2,12-13H2,1H3/b9-8+/t21-/m0/s1