3-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)propyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: 3-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)propyl 1,3-benzodioxole-5-carboxylate Openeye Name: 3-(6,7-dimethoxy-1-oxo-isochromen-3-yl)propyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid 3-(6,7-dimethoxy-1-oxo-2-benzopyran-3-yl)propyl ester IUPAC Name: 3-(6,7-dimethoxy-1-oxoisochromen-3-yl)propyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid 3-(1-keto-6,7-dimethoxy-isochromen-3-yl)propyl ester Formula: C22H20O8 MolecularWeight: 412.3894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(OC2=O)CCCOC(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(OC2=O)CCCOC(=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H20O8/c1-25-18-10-14-8-15(30-22(24)16(14)11-19(18)26-2)4-3-7-27-21(23)13-5-6-17-20(9-13)29-12-28-17/h5-6,8-11H,3-4,7,12H2,1-2H3