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

Systemtic Name: 5-[[6-chloranyl-2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[6-chloro-4-oxo-2-(p-tolyl)chromen-3-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[6-chloro-2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[6-chloro-2-(4-methylphenyl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[6-chloro-4-keto-2-(p-tolyl)chromen-3-yl]oxymethyl]-2-furoic acid Formula: C22H15ClO6 MolecularWeight: 410.8039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=C(O4)C(=O)O

Isomeric SMILES

CC1=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/C22H15ClO6/c1-12-2-4-13(5-3-12)20-21(27-11-15-7-9-18(28-15)22(25)26)19(24)16-10-14(23)6-8-17(16)29-20/h2-10H,11H2,1H3,(H,25,26)