2-[4,5-bis(bromanyl)-3-methylsulfonyloxy-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[4,5-bis(bromanyl)-3-methylsulfonyloxy-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-(4,5-dibromo-3-methylsulfonyloxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-(4,5-dibromo-3-methylsulfonyloxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-(4,5-dibromo-3-methylsulfonyloxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(4,5-dibromo-3-keto-6-methylsulfonyloxy-xanthen-9-yl)benzoic acid Formula: C21H12Br2O7S MolecularWeight: 568.18878

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C2=C(C=C1)C(=C3C=CC(=O)C(=C3O2)Br)C4=CC=CC=C4C(=O)O)Br

Isomeric SMILES

CS(=O)(=O)OC1=C(C2=C(C=C1)C(=C3C=CC(=O)C(=C3O2)Br)C4=CC=CC=C4C(=O)O)Br

InChI

InChI=1S/C21H12Br2O7S/c1-31(27,28)30-15-9-7-13-16(10-4-2-3-5-11(10)21(25)26)12-6-8-14(24)17(22)19(12)29-20(13)18(15)23/h2-9H,1H3,(H,25,26)