2-[3-(4-bromophenyl)sulfonyloxy-4,5-bis(iodanyl)-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[3-(4-bromophenyl)sulfonyloxy-4,5-bis(iodanyl)-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[3-(4-bromophenyl)sulfonyloxy-4,5-diiodo-6-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[3-(4-bromophenyl)sulfonyloxy-4,5-diiodo-6-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[3-(4-bromophenyl)sulfonyloxy-4,5-diiodo-6-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-(3-brosyloxy-4,5-diiodo-6-keto-xanthen-9-yl)benzoic acid Formula: C26H13BrI2O7S MolecularWeight: 803.15516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4I)OS(=O)(=O)C5=CC=C(C=C5)Br)I)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4I)OS(=O)(=O)C5=CC=C(C=C5)Br)I)C(=O)O

InChI

InChI=1S/C26H13BrI2O7S/c27-13-5-7-14(8-6-13)37(33,34)36-20-12-10-18-21(15-3-1-2-4-16(15)26(31)32)17-9-11-19(30)22(28)24(17)35-25(18)23(20)29/h1-12H,(H,31,32)