sodium 3-acetamido-4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butane-2-sulfonate

Systemtic Name: sodium 3-acetamido-4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butane-2-sulfonate Openeye Name: sodium 3-acetamido-4-ethoxy-3-ethoxycarbonyl-4-oxo-butane-2-sulfonate CAS Name: sodium 3-acetamido-4-ethoxy-3-ethoxycarbonyl-4-oxo-2-butanesulfonate IUPAC Name: sodium 3-acetamido-4-ethoxy-3-ethoxycarbonyl-4-oxobutane-2-sulfonate Traditional Name: sodium 3-acetamido-3-carbethoxy-4-ethoxy-4-keto-butane-2-sulfonate Formula: C11H18NNaO8S MolecularWeight: 347.31729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)S(=O)(=O)[O-])(C(=O)OCC)NC(=O)C.[Na+]

Isomeric SMILES

CCOC(=O)C(C(C)S(=O)(=O)[O-])(C(=O)OCC)NC(=O)C.[Na+]

InChI

InChI=1S/C11H19NO8S.Na/c1-5-19-9(14)11(12-8(4)13,10(15)20-6-2)7(3)21(16,17)18;/h7H,5-6H2,1-4H3,(H,12,13)(H,16,17,18);/q;+1/p-1