2-[2,7-bis(bromanyl)-3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]benzenesulfonate

Systemtic Name: 2-[2,7-bis(bromanyl)-3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]benzenesulfonate Openeye Name: 2-(2,7-dibromo-3,4,5-trihydroxy-6-oxo-xanthen-9-yl)benzenesulfonate CAS Name: 2-(2,7-dibromo-3,4,5-trihydroxy-6-oxo-9-xanthenyl)benzenesulfonate IUPAC Name: 2-(2,7-dibromo-3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzenesulfonate Traditional Name: 2-(2,7-dibromo-3,4,5-trihydroxy-6-keto-xanthen-9-yl)besylate Formula: C19H9Br2O8S- MolecularWeight: 557.14296

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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)O)O)Br)S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H10Br2O8S/c20-10-5-8-13(7-3-1-2-4-12(7)30(26,27)28)9-6-11(21)15(23)17(25)19(9)29-18(8)16(24)14(10)22/h1-6,22,24-25H,(H,26,27,28)/p-1