sodium 2-[(5-ethoxy-2-ethyl-4-methyl-5-oxidanylidene-pentanoyl)amino]-2-methyl-propane-1-sulfonate

Systemtic Name: sodium 2-[(5-ethoxy-2-ethyl-4-methyl-5-oxidanylidene-pentanoyl)amino]-2-methyl-propane-1-sulfonate Openeye Name: sodium 2-[(5-ethoxy-2-ethyl-4-methyl-5-oxo-pentanoyl)amino]-2-methyl-propane-1-sulfonate CAS Name: sodium 2-[(5-ethoxy-2-ethyl-4-methyl-1,5-dioxopentyl)amino]-2-methyl-1-propanesulfonate IUPAC Name: sodium 2-[(5-ethoxy-2-ethyl-4-methyl-5-oxopentanoyl)amino]-2-methylpropane-1-sulfonate Traditional Name: sodium 2-[(5-ethoxy-2-ethyl-5-keto-4-methyl-pentanoyl)amino]-2-methyl-propane-1-sulfonate Formula: C14H26NNaO6S MolecularWeight: 359.41411

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OCC)C(=O)NC(C)(C)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC(C)C(=O)OCC)C(=O)NC(C)(C)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H27NO6S.Na/c1-6-11(8-10(3)13(17)21-7-2)12(16)15-14(4,5)9-22(18,19)20;/h10-11H,6-9H2,1-5H3,(H,15,16)(H,18,19,20);/q;+1/p-1