2-[4,5-bis(bromanyl)-3-oxidanidyl-6-oxidanyl-9H-xanthen-9-yl]benzoate; zirconium(2+)

Systemtic Name: 2-[4,5-bis(bromanyl)-3-oxidanidyl-6-oxidanyl-9H-xanthen-9-yl]benzoate; zirconium(2+) Openeye Name: 2-(4,5-dibromo-3-hydroxy-6-oxido-9H-xanthen-9-yl)benzoate; zirconium(2+) CAS Name: 2-(4,5-dibromo-3-hydroxy-6-oxido-9H-xanthen-9-yl)benzoate; zirconium(2+) IUPAC Name: 2-(4,5-dibromo-3-hydroxy-6-oxido-9H-xanthen-9-yl)benzoate; zirconium(2+) Traditional Name: 2-(4,5-dibromo-3-hydroxy-6-oxido-9H-xanthen-9-yl)benzoate; zirconium(2+) Formula: C20H10Br2O5Zr MolecularWeight: 581.3224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C3=C(C(=C(C=C3)O)Br)OC4=C2C=CC(=C4Br)[O-])C(=O)[O-].[Zr+2]

Isomeric SMILES

C1=CC=C(C(=C1)C2C3=C(C(=C(C=C3)O)Br)OC4=C2C=CC(=C4Br)[O-])C(=O)[O-].[Zr+2]

InChI

InChI=1S/C20H12Br2O5.Zr/c21-16-13(23)7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(24)17(22)19(12)27-18(11)16;/h1-8,15,23-24H,(H,25,26);/q;+2/p-2