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

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanylidene-butyl] hydrogen sulfate Openeye Name: [2-(hydroxymethyl)-2-methyl-3-oxo-butyl] hydrogen sulfate CAS Name: sulfuric acid [2-(hydroxymethyl)-2-methyl-3-oxobutyl] ester IUPAC Name: [2-(hydroxymethyl)-2-methyl-3-oxobutyl] hydrogen sulfate Traditional Name: sulfuric acid (3-keto-2-methyl-2-methylol-butyl) ester Formula: C6H12O6S MolecularWeight: 212.22088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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