5-[[3-(2-carboxyethyl)-4,8-dimethyl-2-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3-(2-carboxyethyl)-4,8-dimethyl-2-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-chromen-7-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-(2-carboxyethyl)-4,8-dimethyl-2-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[3-(2-carboxyethyl)-2-keto-4,8-dimethyl-chromen-7-yl]oxymethyl]-2-furoic acid Formula: C20H18O8 MolecularWeight: 386.35212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(O3)C(=O)O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(O3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C20H18O8/c1-10-13-4-7-15(26-9-12-3-6-16(27-12)19(23)24)11(2)18(13)28-20(25)14(10)5-8-17(21)22/h3-4,6-7H,5,8-9H2,1-2H3,(H,21,22)(H,23,24)