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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)OC(C(C2=O)C(=O)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCOC1=CC2=C(C=C1)O[C@@H]([C@H](C2=O)C(=O)OC)C3=CC4=C(C=C3)OCO4

InChI

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