4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxidanylidene-isochromene-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxidanylidene-isochromene-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-isochromene-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-2-benzopyran-3-carboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxoisochromene-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-keto-6,7-dimethoxy-isochromene-3-carboxylic acid Formula: C19H14O8 MolecularWeight: 370.30966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14O8/c1-23-13-6-10-11(7-14(13)24-2)19(22)27-17(18(20)21)16(10)9-3-4-12-15(5-9)26-8-25-12/h3-7H,8H2,1-2H3,(H,20,21)