[(1R)-1-(acetyloxymethyl)-1-(hydroxymethyl)-3-oxidanylidene-2-benzofuran-4-yl] but-3-enoate

Systemtic Name: [(1R)-1-(acetyloxymethyl)-1-(hydroxymethyl)-3-oxidanylidene-2-benzofuran-4-yl] but-3-enoate Openeye Name: [(1R)-1-(acetoxymethyl)-1-(hydroxymethyl)-3-oxo-isobenzofuran-4-yl] but-3-enoate CAS Name: 3-butenoic acid [(1R)-1-(acetyloxymethyl)-1-(hydroxymethyl)-3-oxo-4-isobenzofuranyl] ester IUPAC Name: [(1R)-1-(acetyloxymethyl)-1-(hydroxymethyl)-3-oxo-2-benzofuran-4-yl] but-3-enoate Traditional Name: but-3-enoic acid [(1R)-1-(acetoxymethyl)-3-keto-1-methylol-phthalan-4-yl] ester Formula: C16H16O7 MolecularWeight: 320.29404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(C2=C(C(=CC=C2)OC(=O)CC=C)C(=O)O1)CO

Isomeric SMILES

CC(=O)OC[C@@]1(C2=C(C(=CC=C2)OC(=O)CC=C)C(=O)O1)CO

InChI

InChI=1S/C16H16O7/c1-3-5-13(19)22-12-7-4-6-11-14(12)15(20)23-16(11,8-17)9-21-10(2)18/h3-4,6-7,17H,1,5,8-9H2,2H3/t16-/m1/s1