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6,7-dimethoxy-1-oxidanylidene-4-(2,3,4-trimethoxyphenyl)isochromene-3-carboxylic acid

6,7-dimethoxy-1-oxidanylidene-4-(2,3,4-trimethoxyphenyl)isochromene-3-carboxylic acid

Systemtic Name:6,7-dimethoxy-1-oxidanylidene-4-(2,3,4-trimethoxyphenyl)isochromene-3-carboxylic acid
Openeye Name:6,7-dimethoxy-1-oxo-4-(2,3,4-trimethoxyphenyl)isochromene-3-carboxylic acid
CAS Name:6,7-dimethoxy-1-oxo-4-(2,3,4-trimethoxyphenyl)-2-benzopyran-3-carboxylic acid
IUPAC Name:6,7-dimethoxy-1-oxo-4-(2,3,4-trimethoxyphenyl)isochromene-3-carboxylic acid
Traditional Name:1-keto-6,7-dimethoxy-4-(2,3,4-trimethoxyphenyl)isochromene-3-carboxylic acid
Formula: C21H20O9
MolecularWeight: 416.3781
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C(=O)O)OC)OC


Isomeric SMILES

COC1=C(C(=C(C=C1)C2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C(=O)O)OC)OC


InChI

InChI=1S/C21H20O9/c1-25-13-7-6-10(17(28-4)18(13)29-5)16-11-8-14(26-2)15(27-3)9-12(11)21(24)30-19(16)20(22)23/h6-9H,1-5H3,(H,22,23)


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