4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one CAS Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-benzopyran-1-one IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one Traditional Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3-(4-methoxyphenyl)isocoumarin Formula: C25H20O7 MolecularWeight: 432.4221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC(=C(C=C3C(=O)O2)OC)OC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC(=C(C=C3C(=O)O2)OC)OC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20O7/c1-27-16-7-4-14(5-8-16)24-23(15-6-9-19-22(10-15)31-13-30-19)17-11-20(28-2)21(29-3)12-18(17)25(26)32-24/h4-12H,13H2,1-3H3