[(3S)-2-oxidanylideneoxolan-3-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C16H16O6 MolecularWeight: 304.29464

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)OC3CCOC3=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)O[C@H]3CCOC3=O)OC1

InChI

InChI=1S/C16H16O6/c17-15(22-13-6-9-21-16(13)18)5-3-11-2-4-12-14(10-11)20-8-1-7-19-12/h2-5,10,13H,1,6-9H2/b5-3+/t13-/m0/s1