[2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl] hexanoate

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl] hexanoate Openeye Name: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-chromen-3-yl] hexanoate CAS Name: hexanoic acid [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] hexanoate Traditional Name: hexanoic acid [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-keto-chromen-3-yl] ester Formula: C21H20O8 MolecularWeight: 400.3787

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CCCCCC(=O)OC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C21H20O8/c1-2-3-4-5-17(26)29-21-19(27)18-15(25)9-12(22)10-16(18)28-20(21)11-6-7-13(23)14(24)8-11/h6-10,22-25H,2-5H2,1H3