2-[2,4,5,7-tetrakis(iodanyl)-6-oxidanyl-3-oxidanylidene-xanthen-1-yl]benzoic acid

Systemtic Name: 2-[2,4,5,7-tetrakis(iodanyl)-6-oxidanyl-3-oxidanylidene-xanthen-1-yl]benzoic acid Openeye Name: 2-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-xanthen-1-yl)benzoic acid CAS Name: 2-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-1-xanthenyl)benzoic acid IUPAC Name: 2-(6-hydroxy-2,4,5,7-tetraiodo-3-oxoxanthen-1-yl)benzoic acid Traditional Name: 2-(6-hydroxy-2,4,5,7-tetraiodo-3-keto-xanthen-1-yl)benzoic acid Formula: C20H8I4O5 MolecularWeight: 835.8924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C(=O)C(=C3C2=CC4=CC(=C(C(=C4O3)I)O)I)I)I)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C(=O)C(=C3C2=CC4=CC(=C(C(=C4O3)I)O)I)I)I)C(=O)O

InChI

InChI=1S/C20H8I4O5/c21-11-6-7-5-10-12(8-3-1-2-4-9(8)20(27)28)13(22)17(26)15(24)19(10)29-18(7)14(23)16(11)25/h1-6,25H,(H,27,28)