2-[2,7-bis(chloranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-5-iodanyl-benzenesulfonic acid

Systemtic Name: 2-[2,7-bis(chloranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-5-iodanyl-benzenesulfonic acid Openeye Name: 2-(2,7-dichloro-3-hydroxy-6-oxo-xanthen-9-yl)-5-iodo-benzenesulfonic acid CAS Name: 2-(2,7-dichloro-3-hydroxy-6-oxo-9-xanthenyl)-5-iodobenzenesulfonic acid IUPAC Name: 2-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)-5-iodobenzenesulfonic acid Traditional Name: 2-(2,7-dichloro-3-hydroxy-6-keto-xanthen-9-yl)-5-iodo-besylic acid Formula: C19H9Cl2IO6S MolecularWeight: 563.14663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1I)S(=O)(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)Cl)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1I)S(=O)(=O)O)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)Cl)O)Cl

InChI

InChI=1S/C19H9Cl2IO6S/c20-12-4-10-16(6-14(12)23)28-17-7-15(24)13(21)5-11(17)19(10)9-2-1-8(22)3-18(9)29(25,26)27/h1-7,23H,(H,25,26,27)