sodium 2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzenesulfonate

Systemtic Name: sodium 2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzenesulfonate Openeye Name: sodium 2-(2,4,5,7-tetrabromo-3-oxido-6-oxo-xanthen-9-yl)benzenesulfonate CAS Name: sodium 2-(2,4,5,7-tetrabromo-3-oxido-6-oxo-9-xanthenyl)benzenesulfonate IUPAC Name: sodium 2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzenesulfonate Traditional Name: sodium 2-(2,4,5,7-tetrabromo-3-keto-6-oxido-xanthen-9-yl)besylate Formula: C19H6Br4NaO6S- MolecularWeight: 704.91811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H8Br4O6S.Na/c20-10-5-8-13(7-3-1-2-4-12(7)30(26,27)28)9-6-11(21)17(25)15(23)19(9)29-18(8)14(22)16(10)24;/h1-6,24H,(H,26,27,28);/q;+1/p-2