3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-isochromen-1-one

Systemtic Name: 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-isochromen-1-one Openeye Name: 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-isochromen-1-one CAS Name: 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-2-benzopyran-1-one IUPAC Name: 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxyisochromen-1-one Traditional Name: 3-[6-(2,2-dimethoxyethyl)-1,3-benzodioxol-5-yl]-6,7-dimethoxy-isocoumarin Formula: C22H22O8 MolecularWeight: 414.40528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(OC2=O)C3=CC4=C(C=C3CC(OC)OC)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(OC2=O)C3=CC4=C(C=C3CC(OC)OC)OCO4)OC

InChI

InChI=1S/C22H22O8/c1-24-17-6-12-5-16(30-22(23)15(12)10-18(17)25-2)14-9-20-19(28-11-29-20)7-13(14)8-21(26-3)27-4/h5-7,9-10,21H,8,11H2,1-4H3