5-[[6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl]oxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-keto-chromen-3-yl]oxymethyl]-2-furoic acid Formula: C23H17ClO8 MolecularWeight: 456.82928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=C(O4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=C(O4)C(=O)O)OC

InChI

InChI=1S/C23H17ClO8/c1-28-17-6-3-12(9-19(17)29-2)21-22(30-11-14-5-8-18(31-14)23(26)27)20(25)15-10-13(24)4-7-16(15)32-21/h3-10H,11H2,1-2H3,(H,26,27)