5-[[3-(4-chloranyl-3-methyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3-(4-chloranyl-3-methyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[3-(4-chloro-3-methyl-phenoxy)-4-oxo-chromen-7-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[3-(4-chloro-3-methylphenoxy)-4-oxo-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-(4-chloro-3-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[3-(4-chloro-3-methyl-phenoxy)-4-keto-chromen-7-yl]oxymethyl]-2-furoic acid Formula: C22H15ClO7 MolecularWeight: 426.8033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)O)Cl

InChI

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