sodium (2,2-diethyl-4-oxidanyl-4-oxidanylidene-butanoyl) sulfate

Systemtic Name: sodium (2,2-diethyl-4-oxidanyl-4-oxidanylidene-butanoyl) sulfate Openeye Name: sodium (2,2-diethyl-4-hydroxy-4-oxo-butanoyl) sulfate CAS Name: sodium (2,2-diethyl-4-hydroxy-1,4-dioxobutyl) sulfate IUPAC Name: sodium (2,2-diethyl-4-hydroxy-4-oxobutanoyl) sulfate Traditional Name: sodium (2,2-diethyl-4-hydroxy-4-keto-butanoyl) sulfate Formula: C8H13NaO7S MolecularWeight: 276.23939

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)O)C(=O)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC)(CC(=O)O)C(=O)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H14O7S.Na/c1-3-8(4-2,5-6(9)10)7(11)15-16(12,13)14;/h3-5H2,1-2H3,(H,9,10)(H,12,13,14);/q;+1/p-1