4-(1-hydroxyethylperoxy)-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-(1-hydroxyethylperoxy)-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-(1-hydroxyethylperoxy)-4-oxo-2-sulfo-butanoic acid CAS Name: 4-(1-hydroxyethyldioxy)-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-(1-hydroxyethylperoxy)-4-oxo-2-sulfobutanoic acid Traditional Name: 4-(1-hydroxyethylperoxy)-4-keto-2-sulfo-butyric acid Formula: C6H10O9S MolecularWeight: 258.2032

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)OOC(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(O)OOC(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C6H10O9S/c1-3(7)14-15-5(8)2-4(6(9)10)16(11,12)13/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12,13)