phenol; sulfooxy hydrogen sulfate; hydrochloride

Systemtic Name: phenol; sulfooxy hydrogen sulfate; hydrochloride Openeye Name: phenol; sulfooxy hydrogen sulfate; hydrochloride CAS Name: phenol; sulfuric acid sulfooxy ester; hydrochloride IUPAC Name: phenol; sulfooxy hydrogen sulfate; hydrochloride Traditional Name: phenol; sulfuric acid sulfoxy ester; hydrochloride Formula: C6H9ClO9S2 MolecularWeight: 324.71326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)O.OS(=O)(=O)OOS(=O)(=O)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)O.OS(=O)(=O)OOS(=O)(=O)O.Cl

InChI

InChI=1S/C6H6O.ClH.H2O8S2/c7-6-4-2-1-3-5-6;;1-9(2,3)7-8-10(4,5)6/h1-5,7H;1H;(H,1,2,3)(H,4,5,6)