2,2-dimethylpropane; (4-sulfanylphenyl) hydrogen sulfate

Systemtic Name: 2,2-dimethylpropane; (4-sulfanylphenyl) hydrogen sulfate Openeye Name: neopentane; (4-sulfanylphenyl) hydrogen sulfate CAS Name: 2,2-dimethylpropane; sulfuric acid (4-mercaptophenyl) ester IUPAC Name: 2,2-dimethylpropane; (4-sulfanylphenyl) hydrogen sulfate Traditional Name: neopentane; sulfuric acid (4-mercaptophenyl) ester Formula: C11H18O4S2 MolecularWeight: 278.38822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C.C1=CC(=CC=C1OS(=O)(=O)O)S

Isomeric SMILES

CC(C)(C)C.C1=CC(=CC=C1OS(=O)(=O)O)S

InChI

InChI=1S/C6H6O4S2.C5H12/c7-12(8,9)10-5-1-3-6(11)4-2-5;1-5(2,3)4/h1-4,11H,(H,7,8,9);1-4H3