6-[2-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-3-yl]oxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[2-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-3-yl]oxy-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2-(3,4-dihydroxyphenyl)-4-oxo-chromen-3-yl]oxy-6-oxo-hexanoic acid CAS Name: 6-[[2-(3,4-dihydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-6-oxohexanoic acid IUPAC Name: 6-[2-(3,4-dihydroxyphenyl)-4-oxochromen-3-yl]oxy-6-oxohexanoic acid Traditional Name: 6-[2-(3,4-dihydroxyphenyl)-4-keto-chromen-3-yl]oxy-6-keto-hexanoic acid Formula: C21H18O8 MolecularWeight: 398.36282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC(=O)CCCCC(=O)O

InChI

InChI=1S/C21H18O8/c22-14-10-9-12(11-15(14)23)20-21(29-18(26)8-4-3-7-17(24)25)19(27)13-5-1-2-6-16(13)28-20/h1-2,5-6,9-11,22-23H,3-4,7-8H2,(H,24,25)