2-[4,5-bis(iodanyl)-3-oxidanyl-6-oxidanylidene-4a,9a-dihydroxanthen-9-yl]benzoic acid

Systemtic Name: 2-[4,5-bis(iodanyl)-3-oxidanyl-6-oxidanylidene-4a,9a-dihydroxanthen-9-yl]benzoic acid Openeye Name: 2-(3-hydroxy-4,5-diiodo-6-oxo-4a,9a-dihydroxanthen-9-yl)benzoic acid CAS Name: 2-(3-hydroxy-4,5-diiodo-6-oxo-4a,9a-dihydroxanthen-9-yl)benzoic acid IUPAC Name: 2-(3-hydroxy-4,5-diiodo-6-oxo-4a,9a-dihydroxanthen-9-yl)benzoic acid Traditional Name: 2-(3-hydroxy-4,5-diiodo-6-keto-4a,9a-dihydroxanthen-9-yl)benzoic acid Formula: C20H12I2O5 MolecularWeight: 586.11522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4C2C=CC(=C4I)O)I)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4C2C=CC(=C4I)O)I)C(=O)O

InChI

InChI=1S/C20H12I2O5/c21-16-13(23)7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(24)17(22)19(12)27-18(11)16/h1-8,11,18,23H,(H,25,26)