sodium 4-ethyl-1-oxidanylidene-2-(2-oxidanylideneethyl)octane-1-sulfonate

Systemtic Name: sodium 4-ethyl-1-oxidanylidene-2-(2-oxidanylideneethyl)octane-1-sulfonate Openeye Name: sodium 4-ethyl-1-oxo-2-(2-oxoethyl)octane-1-sulfonate CAS Name: sodium 4-ethyl-1-oxo-2-(2-oxoethyl)-1-octanesulfonate IUPAC Name: sodium 4-ethyl-1-oxo-2-(2-oxoethyl)octane-1-sulfonate Traditional Name: sodium 4-ethyl-1-keto-2-(2-ketoethyl)octane-1-sulfonate Formula: C12H21NaO5S MolecularWeight: 300.34691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O5S.Na/c1-3-5-6-10(4-2)9-11(7-8-13)12(14)18(15,16)17;/h8,10-11H,3-7,9H2,1-2H3,(H,15,16,17);/q;+1/p-1