[2-(hydroxymethyl)-2-methyl-3-oxidanylidene-butyl] hydrogen sulfate; methane

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanylidene-butyl] hydrogen sulfate; methane Openeye Name: [2-(hydroxymethyl)-2-methyl-3-oxo-butyl] hydrogen sulfate; methane CAS Name: methane; sulfuric acid [2-(hydroxymethyl)-2-methyl-3-oxobutyl] ester IUPAC Name: [2-(hydroxymethyl)-2-methyl-3-oxobutyl] hydrogen sulfate; methane Traditional Name: methane; sulfuric acid (3-keto-2-methyl-2-methylol-butyl) ester Formula: C8H20O6S MolecularWeight: 244.3058

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Descriptors Computed from Structure

Canonical SMILES:

C.C.CC(=O)C(C)(CO)COS(=O)(=O)O

Isomeric SMILES

C.C.CC(=O)C(C)(CO)COS(=O)(=O)O

InChI

InChI=1S/C6H12O6S.2CH4/c1-5(8)6(2,3-7)4-12-13(9,10)11;;/h7H,3-4H2,1-2H3,(H,9,10,11);2*1H4