3-[3-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxidanylidene-propyl]-2-oxidanyl-chromen-4-one

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxidanylidene-propyl]-2-oxidanyl-chromen-4-one Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxo-propyl]-2-hydroxy-chromen-4-one CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-2-hydroxy-1-benzopyran-4-one IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-2-hydroxychromen-4-one Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-keto-propyl]-2-hydroxy-chromone Formula: C27H22O8 MolecularWeight: 474.45878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)C2=CC3=C(C=C2)OCO3)C4=C(OC5=CC=CC=C5C4=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)C2=CC3=C(C=C2)OCO3)C4=C(OC5=CC=CC=C5C4=O)O)OC

InChI

InChI=1S/C27H22O8/c1-31-21-9-7-15(11-23(21)32-2)18(13-19(28)16-8-10-22-24(12-16)34-14-33-22)25-26(29)17-5-3-4-6-20(17)35-27(25)30/h3-12,18,30H,13-14H2,1-2H3