4-[[4,7-dimethyl-3-(2-oxidanidyl-2-oxidanylidene-ethyl)-2-oxidanylidene-chromen-5-yl]oxymethyl]benzoate

Systemtic Name: 4-[[4,7-dimethyl-3-(2-oxidanidyl-2-oxidanylidene-ethyl)-2-oxidanylidene-chromen-5-yl]oxymethyl]benzoate Openeye Name: 4-[[4,7-dimethyl-3-(2-oxido-2-oxo-ethyl)-2-oxo-chromen-5-yl]oxymethyl]benzoate CAS Name: 4-[[4,7-dimethyl-3-(2-oxido-2-oxoethyl)-2-oxo-1-benzopyran-5-yl]oxymethyl]benzoate IUPAC Name: 4-[[4,7-dimethyl-3-(2-oxido-2-oxoethyl)-2-oxochromen-5-yl]oxymethyl]benzoate Traditional Name: 4-[[2-keto-3-(2-keto-2-oxido-ethyl)-4,7-dimethyl-chromen-5-yl]oxymethyl]benzoate Formula: C21H16O7-2 MolecularWeight: 380.34754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)[O-])C)C(=C1)OCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)[O-])C)C(=C1)OCC3=CC=C(C=C3)C(=O)[O-]

InChI

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