(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H20O6 MolecularWeight: 380.3906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC4=C(C=C3)OCO4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC4=C(C=C3)OCO4)C(C)C

InChI

InChI=1S/C22H20O6/c1-12(2)16-9-17-15(8-21(23)28-19(17)6-13(16)3)10-25-22(24)14-4-5-18-20(7-14)27-11-26-18/h4-9,12H,10-11H2,1-3H3