[3-(1,3-benzodioxol-5-yl)-2-oxidanylidene-chromen-7-yl] 2,6-dimethoxybenzoate

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-2-oxidanylidene-chromen-7-yl] 2,6-dimethoxybenzoate Openeye Name: [3-(1,3-benzodioxol-5-yl)-2-oxo-chromen-7-yl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [3-(1,3-benzodioxol-5-yl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzodioxol-5-yl)-2-oxochromen-7-yl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [3-(1,3-benzodioxol-5-yl)-2-keto-chromen-7-yl] ester Formula: C25H18O8 MolecularWeight: 446.40562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H18O8/c1-28-19-4-3-5-20(29-2)23(19)25(27)32-16-8-6-15-10-17(24(26)33-21(15)12-16)14-7-9-18-22(11-14)31-13-30-18/h3-12H,13H2,1-2H3