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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-6-butoxy-4-oxidanylidene-2,3-dihydrochromene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-6-butoxy-4-oxo-chromane-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-6-butoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-6-butoxy-4-oxo-2,3-dihydrochromene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-butoxy-4-keto-chroman-3-carboxylic acid methyl ester Formula: C22H22O7 MolecularWeight: 398.40588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(C(C2=O)C(=O)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(C(C2=O)C(=O)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22O7/c1-3-4-9-26-14-6-8-16-15(11-14)20(23)19(22(24)25-2)21(29-16)13-5-7-17-18(10-13)28-12-27-17/h5-8,10-11,19,21H,3-4,9,12H2,1-2H3