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

Systemtic Name: 4-[[3-(2-carboxyethyl)-4-methyl-2-oxidanylidene-chromen-7-yl]oxymethyl]benzoic acid Openeye Name: 4-[[3-(2-carboxyethyl)-4-methyl-2-oxo-chromen-7-yl]oxymethyl]benzoic acid CAS Name: 4-[[3-(2-carboxyethyl)-4-methyl-2-oxo-1-benzopyran-7-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[3-(2-carboxyethyl)-4-methyl-2-oxochromen-7-yl]oxymethyl]benzoic acid Traditional Name: 4-[[3-(2-carboxyethyl)-2-keto-4-methyl-chromen-7-yl]oxymethyl]benzoic acid Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C21H18O7/c1-12-16-7-6-15(27-11-13-2-4-14(5-3-13)20(24)25)10-18(16)28-21(26)17(12)8-9-19(22)23/h2-7,10H,8-9,11H2,1H3,(H,22,23)(H,24,25)