sodium 4-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-butan-2-yl)peroxy-butanoate

Systemtic Name: sodium 4-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-butan-2-yl)peroxy-butanoate Openeye Name: sodium 4-(1-carboxypropylperoxy)-4-oxo-butanoate CAS Name: sodium 4-(1-hydroxy-1-oxobutan-2-yl)dioxy-4-oxobutanoate IUPAC Name: sodium 4-(1-hydroxy-1-oxobutan-2-yl)peroxy-4-oxobutanoate Traditional Name: sodium 4-(1-carboxypropylperoxy)-4-keto-butyrate Formula: C8H11NaO7 MolecularWeight: 242.15851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O7.Na/c1-2-5(8(12)13)14-15-7(11)4-3-6(9)10;/h5H,2-4H2,1H3,(H,9,10)(H,12,13);/q;+1/p-1