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

Systemtic Name: 4-[[3-(2-carboxyethyl)-4,8-dimethyl-2-oxidanylidene-chromen-7-yl]oxymethyl]benzoic acid Openeye Name: 4-[[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-chromen-7-yl]oxymethyl]benzoic acid CAS Name: 4-[[3-(2-carboxyethyl)-4,8-dimethyl-2-oxo-1-benzopyran-7-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[3-(2-carboxyethyl)-4,8-dimethyl-2-oxochromen-7-yl]oxymethyl]benzoic acid Traditional Name: 4-[[3-(2-carboxyethyl)-2-keto-4,8-dimethyl-chromen-7-yl]oxymethyl]benzoic acid Formula: C22H20O7 MolecularWeight: 396.39

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C22H20O7/c1-12-16-7-9-18(28-11-14-3-5-15(6-4-14)21(25)26)13(2)20(16)29-22(27)17(12)8-10-19(23)24/h3-7,9H,8,10-11H2,1-2H3,(H,23,24)(H,25,26)