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

Systemtic Name: 5-[[3-(carboxymethyl)-4-methyl-2-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[3-(carboxymethyl)-4-methyl-2-oxo-chromen-7-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[3-(carboxymethyl)-4-methyl-2-oxo-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-(carboxymethyl)-4-methyl-2-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[3-(carboxymethyl)-2-keto-4-methyl-chromen-7-yl]oxymethyl]-2-furoic acid Formula: C18H14O8 MolecularWeight: 358.29896

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H14O8/c1-9-12-4-2-10(24-8-11-3-5-14(25-11)17(21)22)6-15(12)26-18(23)13(9)7-16(19)20/h2-6H,7-8H2,1H3,(H,19,20)(H,21,22)