methyl 2-[2,4,5,7-tetrakis(iodanyl)-3-oxidanyl-9H-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[2,4,5,7-tetrakis(iodanyl)-3-oxidanyl-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-(3-hydroxy-2,4,5,7-tetraiodo-9H-xanthen-9-yl)benzoate CAS Name: 2-(3-hydroxy-2,4,5,7-tetraiodo-9H-xanthen-9-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(3-hydroxy-2,4,5,7-tetraiodo-9H-xanthen-9-yl)benzoate Traditional Name: 2-(3-hydroxy-2,4,5,7-tetraiodo-9H-xanthen-9-yl)benzoic acid methyl ester Formula: C21H12I4O4 MolecularWeight: 835.93546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2C3=CC(=CC(=C3OC4=C(C(=C(C=C24)I)O)I)I)I

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2C3=CC(=CC(=C3OC4=C(C(=C(C=C24)I)O)I)I)I

InChI

InChI=1S/C21H12I4O4/c1-28-21(27)11-5-3-2-4-10(11)16-12-6-9(22)7-15(24)19(12)29-20-13(16)8-14(23)18(26)17(20)25/h2-8,16,26H,1H3