2-[2,7-bis(iodanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[2,7-bis(iodanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-(3-hydroxy-2,7-diiodo-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-(3-hydroxy-2,7-diiodo-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-(3-hydroxy-2,7-diiodo-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(3-hydroxy-2,7-diiodo-6-keto-xanthen-9-yl)benzoic acid Formula: C20H10I2O5 MolecularWeight: 584.09934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)I)O)I)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)I)O)I)C(=O)O

InChI

InChI=1S/C20H10I2O5/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26/h1-8,23H,(H,25,26)