[4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-keto-3-(4-propoxycarbonylphenoxy)chromen-7-yl] ester Formula: C27H20O9 MolecularWeight: 488.4423

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H20O9/c1-2-11-31-26(29)16-3-6-18(7-4-16)35-24-14-32-22-13-19(8-9-20(22)25(24)28)36-27(30)17-5-10-21-23(12-17)34-15-33-21/h3-10,12-14H,2,11,15H2,1H3