disodium 2-methyl-3-[4-(1-oxidanidyl-1-oxidanylidene-propan-2-yl)phenyl]propanoate dihydrate

Systemtic Name: disodium 2-methyl-3-[4-(1-oxidanidyl-1-oxidanylidene-propan-2-yl)phenyl]propanoate dihydrate Openeye Name: disodium 2-methyl-3-[4-(1-methyl-2-oxido-2-oxo-ethyl)phenyl]propanoate dihydrate CAS Name: disodium 2-methyl-3-[4-(1-oxido-1-oxopropan-2-yl)phenyl]propanoate dihydrate IUPAC Name: disodium 2-methyl-3-[4-(1-oxido-1-oxopropan-2-yl)phenyl]propanoate dihydrate Traditional Name: disodium 3-[4-(2-keto-1-methyl-2-oxido-ethyl)phenyl]-2-methyl-propionate dihydrate Formula: C13H18Na2O6 MolecularWeight: 316.25796

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)C(=O)[O-])C(=O)[O-].O.O.[Na+].[Na+]

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(C)C(=O)[O-])C(=O)[O-].O.O.[Na+].[Na+]

InChI

InChI=1S/C13H16O4.2Na.2H2O/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17;;;;/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17);;;2*1H2/q;2*+1;;/p-2