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

Systemtic Name: 5-[[6-chloranyl-2-(4-methoxyphenyl)-4-oxidanylidene-chromen-3-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[6-chloro-2-(4-methoxyphenyl)-4-oxo-chromen-3-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[6-chloro-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[6-chloro-4-keto-2-(4-methoxyphenyl)chromen-3-yl]oxymethyl]-2-furoic acid Formula: C22H15ClO7 MolecularWeight: 426.8033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClO7/c1-27-14-5-2-12(3-6-14)20-21(28-11-15-7-9-18(29-15)22(25)26)19(24)16-10-13(23)4-8-17(16)30-20/h2-10H,11H2,1H3,(H,25,26)