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

Systemtic Name: 4-[[3-(carboxymethyl)-4,8-dimethyl-2-oxidanylidene-chromen-7-yl]oxymethyl]benzoic acid Openeye Name: 4-[[3-(carboxymethyl)-4,8-dimethyl-2-oxo-chromen-7-yl]oxymethyl]benzoic acid CAS Name: 4-[[3-(carboxymethyl)-4,8-dimethyl-2-oxo-1-benzopyran-7-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[3-(carboxymethyl)-4,8-dimethyl-2-oxochromen-7-yl]oxymethyl]benzoic acid Traditional Name: 4-[[3-(carboxymethyl)-2-keto-4,8-dimethyl-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(=C2C)OCC3=CC=C(C=C3)C(=O)O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18O7/c1-11-15-7-8-17(27-10-13-3-5-14(6-4-13)20(24)25)12(2)19(15)28-21(26)16(11)9-18(22)23/h3-8H,9-10H2,1-2H3,(H,22,23)(H,24,25)