2-[3,4,5,6-tetrakis(oxidanyl)xanthen-10-ium-9-yl]benzenesulfonic acid

Systemtic Name: 2-[3,4,5,6-tetrakis(oxidanyl)xanthen-10-ium-9-yl]benzenesulfonic acid Openeye Name: 2-(3,4,5,6-tetrahydroxyxanthen-10-ium-9-yl)benzenesulfonic acid CAS Name: 2-(3,4,5,6-tetrahydroxy-9-xanthen-10-iumyl)benzenesulfonic acid IUPAC Name: 2-(3,4,5,6-tetrahydroxyxanthen-10-ium-9-yl)benzenesulfonic acid Traditional Name: 2-(3,4,5,6-tetrahydroxyxanthen-10-ium-9-yl)besylic acid Formula: C19H13O8S+ MolecularWeight: 401.36672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=C(C3=[O+]C4=C2C=CC(=C4O)O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=C(C3=[O+]C4=C2C=CC(=C4O)O)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/h1-8H,(H4-,20,21,22,23,24,25,26)/p+1