sodium 4-(2-methylheptan-2-yloxy)-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: sodium 4-(2-methylheptan-2-yloxy)-4-oxidanylidene-3-sulfo-butanoate Openeye Name: sodium 4-(1,1-dimethylhexoxy)-4-oxo-3-sulfo-butanoate CAS Name: sodium 4-(2-methylheptan-2-yloxy)-4-oxo-3-sulfobutanoate IUPAC Name: sodium 4-(2-methylheptan-2-yloxy)-4-oxo-3-sulfobutanoate Traditional Name: sodium 4-(1,1-dimethylhexoxy)-4-keto-3-sulfo-butyrate Formula: C12H21NaO7S MolecularWeight: 332.34571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O7S.Na/c1-4-5-6-7-12(2,3)19-11(15)9(8-10(13)14)20(16,17)18;/h9H,4-8H2,1-3H3,(H,13,14)(H,16,17,18);/q;+1/p-1