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

Systemtic Name: 5-[[3-(2-carboxyethyl)-4-methyl-2-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[3-(2-carboxyethyl)-4-methyl-2-oxo-chromen-7-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[3-(2-carboxyethyl)-4-methyl-2-oxo-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-(2-carboxyethyl)-4-methyl-2-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[3-(2-carboxyethyl)-2-keto-4-methyl-chromen-7-yl]oxymethyl]-2-furoic acid Formula: C19H16O8 MolecularWeight: 372.32554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(O3)C(=O)O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(O3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C19H16O8/c1-10-13-4-2-11(25-9-12-3-6-15(26-12)18(22)23)8-16(13)27-19(24)14(10)5-7-17(20)21/h2-4,6,8H,5,7,9H2,1H3,(H,20,21)(H,22,23)