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

Systemtic Name: 2-[3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]benzenesulfonate Openeye Name: 2-(3,4,5-trihydroxy-6-oxo-xanthen-9-yl)benzenesulfonate CAS Name: 2-(3,4,5-trihydroxy-6-oxo-9-xanthenyl)benzenesulfonate IUPAC Name: 2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)benzenesulfonate Traditional Name: 2-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)besylate Formula: C19H11O8S- MolecularWeight: 399.35084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O)S(=O)(=O)[O-]

InChI

InChI=1S/C19H12O8S/c20-12-7-5-10-15(9-3-1-2-4-14(9)28(24,25)26)11-6-8-13(21)17(23)19(11)27-18(10)16(12)22/h1-8,20,22-23H,(H,24,25,26)/p-1