2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzenesulfonic acid

Systemtic Name: 2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzenesulfonic acid Openeye Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)benzenesulfonic acid CAS Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-9-xanthenyl)benzenesulfonic acid IUPAC Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzenesulfonic acid Traditional Name: 2-(2,4,5,7-tetrabromo-3-hydroxy-6-keto-xanthen-9-yl)besylic acid Formula: C19H8Br4O6S MolecularWeight: 683.94422

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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

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

InChI

InChI=1S/C19H8Br4O6S/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)