3-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-(4-oxidanyl-1-oxidanylidene-isochromen-3-yl)methyl]benzoic acid

Systemtic Name: 3-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-(4-oxidanyl-1-oxidanylidene-isochromen-3-yl)methyl]benzoic acid Openeye Name: 3-[(2-hydroxy-4-oxo-chromen-3-yl)-(4-hydroxy-1-oxo-isochromen-3-yl)methyl]benzoic acid CAS Name: 3-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-(4-hydroxy-1-oxo-2-benzopyran-3-yl)methyl]benzoic acid IUPAC Name: 3-[(2-hydroxy-4-oxochromen-3-yl)-(4-hydroxy-1-oxoisochromen-3-yl)methyl]benzoic acid Traditional Name: 3-[(2-hydroxy-4-keto-chromen-3-yl)-(4-hydroxy-1-keto-isochromen-3-yl)methyl]benzoic acid Formula: C26H16O8 MolecularWeight: 456.40044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(OC2=O)C(C3=CC=CC(=C3)C(=O)O)C4=C(OC5=CC=CC=C5C4=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(OC2=O)C(C3=CC=CC(=C3)C(=O)O)C4=C(OC5=CC=CC=C5C4=O)O)O

InChI

InChI=1S/C26H16O8/c27-21-17-10-3-4-11-18(17)33-26(32)20(21)19(13-6-5-7-14(12-13)24(29)30)23-22(28)15-8-1-2-9-16(15)25(31)34-23/h1-12,19,28,32H,(H,29,30)