trisodium 4-(1-hydroxyethylperoxy)-4-oxidanylidene-2-sulfo-butanoate

Systemtic Name: trisodium 4-(1-hydroxyethylperoxy)-4-oxidanylidene-2-sulfo-butanoate Openeye Name: trisodium 4-(1-hydroxyethylperoxy)-4-oxo-2-sulfo-butanoate CAS Name: trisodium 4-(1-hydroxyethyldioxy)-4-oxo-2-sulfobutanoate IUPAC Name: trisodium 4-(1-hydroxyethylperoxy)-4-oxo-2-sulfobutanoate Traditional Name: trisodium 4-(1-hydroxyethylperoxy)-4-keto-2-sulfo-butyrate Formula: C6H9Na3O9S+2 MolecularWeight: 326.16457

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)OOC(=O)CC(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

CC(O)OOC(=O)CC(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C6H10O9S.3Na/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);;;/q;3*+1/p-1