ethyl 2-[[3,4-bis(oxidanyl)phenyl]-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[[3,4-bis(oxidanyl)phenyl]-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(3,4-dihydroxyphenyl)-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-3-oxo-butanoate CAS Name: 2-[(3,4-dihydroxyphenyl)-(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dihydroxyphenyl)-(2-hydroxy-4-oxochromen-3-yl)methyl]-3-oxobutanoate Traditional Name: 2-[(3,4-dihydroxyphenyl)-(2-hydroxy-4-keto-chromen-3-yl)methyl]-3-keto-butyric acid ethyl ester Formula: C22H20O8 MolecularWeight: 412.3894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC(=C(C=C1)O)O)C2=C(OC3=CC=CC=C3C2=O)O)C(=O)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC(=C(C=C1)O)O)C2=C(OC3=CC=CC=C3C2=O)O)C(=O)C

InChI

InChI=1S/C22H20O8/c1-3-29-21(27)17(11(2)23)18(12-8-9-14(24)15(25)10-12)19-20(26)13-6-4-5-7-16(13)30-22(19)28/h4-10,17-18,24-25,28H,3H2,1-2H3