methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-6-propan-2-yloxy-2,3-dihydrochromene-3-carboxylate

Systemtic Name: methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-6-propan-2-yloxy-2,3-dihydrochromene-3-carboxylate Openeye Name: methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-6-isopropoxy-4-oxo-chromane-3-carboxylate CAS Name: (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxo-6-propan-2-yloxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxo-6-propan-2-yloxy-2,3-dihydrochromene-3-carboxylate Traditional Name: (2S,3R)-2-(1,3-benzodioxol-5-yl)-6-isopropoxy-4-keto-chroman-3-carboxylic acid methyl ester Formula: C21H20O7 MolecularWeight: 384.3793

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)OC(C(C2=O)C(=O)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)O[C@@H]([C@H](C2=O)C(=O)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20O7/c1-11(2)27-13-5-7-15-14(9-13)19(22)18(21(23)24-3)20(28-15)12-4-6-16-17(8-12)26-10-25-16/h4-9,11,18,20H,10H2,1-3H3/t18-,20+/m0/s1