2-[2,4,5,7-tetrakis(iodanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]carbonylbenzoic acid

Systemtic Name: 2-[2,4,5,7-tetrakis(iodanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]carbonylbenzoic acid Openeye Name: 2-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-xanthene-9-carbonyl)benzoic acid CAS Name: 2-[(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-9-xanthenyl)-oxomethyl]benzoic acid IUPAC Name: 2-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthene-9-carbonyl)benzoic acid Traditional Name: 2-(3-hydroxy-2,4,5,7-tetraiodo-6-keto-xanthene-9-carbonyl)benzoic acid Formula: C21H8I4O6 MolecularWeight: 863.9025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)O)I)I)I)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)I)O)I)I)I)C(=O)O

InChI

InChI=1S/C21H8I4O6/c22-11-5-9-13(16(26)7-3-1-2-4-8(7)21(29)30)10-6-12(23)18(28)15(25)20(10)31-19(9)14(24)17(11)27/h1-6,27H,(H,29,30)