4-[3-[[2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-3-yl]methyl]phenyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-[[2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-3-yl]methyl]phenyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[3-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]methyl]phenyl]benzoic acid CAS Name: 2-hydroxy-4-[3-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-hydroxy-4-[3-[[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]methyl]phenyl]benzoic acid Traditional Name: 2-hydroxy-4-[3-[[7-hydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-3-yl]methyl]phenyl]benzoic acid Formula: C29H20O7 MolecularWeight: 480.4649

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC2=C(OC3=C(C2=O)C=CC(=C3)O)C4=CC=C(C=C4)O)C5=CC(=C(C=C5)C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC2=C(OC3=C(C2=O)C=CC(=C3)O)C4=CC=C(C=C4)O)C5=CC(=C(C=C5)C(=O)O)O

InChI

InChI=1S/C29H20O7/c30-20-7-4-17(5-8-20)28-24(27(33)23-11-9-21(31)15-26(23)36-28)13-16-2-1-3-18(12-16)19-6-10-22(29(34)35)25(32)14-19/h1-12,14-15,30-32H,13H2,(H,34,35)