(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl hydrogen sulfate

Systemtic Name: (2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl hydrogen sulfate Openeye Name: (1,1-dimethyl-2-oxo-2-phenyl-ethyl)sulfanyl hydrogen sulfate CAS Name: 2-methyl-1-oxo-1-phenyl-2-propanesulfenic acid IUPAC Name: (2-methyl-1-oxo-1-phenylpropan-2-yl)sulfanyl hydrogen sulfate Traditional Name: sulfuric acid [(2-keto-1,1-dimethyl-2-phenyl-ethyl)thio] ester Formula: C10H12O5S2 MolecularWeight: 276.32928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=CC=C1)SOS(=O)(=O)O

Isomeric SMILES

CC(C)(C(=O)C1=CC=CC=C1)SOS(=O)(=O)O

InChI

InChI=1S/C10H12O5S2/c1-10(2,16-15-17(12,13)14)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13,14)