sodium 3-hexoxycarbonyl-1-oxidanyl-1-oxidanylidene-pentane-3-sulfonate

Systemtic Name: sodium 3-hexoxycarbonyl-1-oxidanyl-1-oxidanylidene-pentane-3-sulfonate Openeye Name: sodium 3-hexoxycarbonyl-1-hydroxy-1-oxo-pentane-3-sulfonate CAS Name: sodium 3-[hexoxy(oxo)methyl]-1-hydroxy-1-oxo-3-pentanesulfonate IUPAC Name: sodium 3-hexoxycarbonyl-1-hydroxy-1-oxopentane-3-sulfonate Traditional Name: sodium 3-hexoxycarbonyl-1-hydroxy-1-keto-pentane-3-sulfonate Formula: C12H21NaO7S MolecularWeight: 332.34571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O7S.Na/c1-3-5-6-7-8-19-11(15)12(4-2,9-10(13)14)20(16,17)18;/h3-9H2,1-2H3,(H,13,14)(H,16,17,18);/q;+1/p-1