4-[2-ethoxycarbonyl-3-oxidanylidene-1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)butyl]benzoic acid

Systemtic Name: 4-[2-ethoxycarbonyl-3-oxidanylidene-1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)butyl]benzoic acid Openeye Name: 4-[2-ethoxycarbonyl-1-(2-hydroxy-4-oxo-chromen-3-yl)-3-oxo-butyl]benzoic acid CAS Name: 4-[2-ethoxycarbonyl-1-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-3-oxobutyl]benzoic acid IUPAC Name: 4-[2-ethoxycarbonyl-1-(2-hydroxy-4-oxochromen-3-yl)-3-oxobutyl]benzoic acid Traditional Name: 4-[2-carbethoxy-1-(2-hydroxy-4-keto-chromen-3-yl)-3-keto-butyl]benzoic acid Formula: C23H20O8 MolecularWeight: 424.4001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20O8/c1-3-30-22(28)17(12(2)24)18(13-8-10-14(11-9-13)21(26)27)19-20(25)15-6-4-5-7-16(15)31-23(19)29/h4-11,17-18,29H,3H2,1-2H3,(H,26,27)