4-ethyl-1-oxidanylidene-2-(2-oxidanylideneethyl)octane-1-sulfonic acid

Systemtic Name: 4-ethyl-1-oxidanylidene-2-(2-oxidanylideneethyl)octane-1-sulfonic acid Openeye Name: 4-ethyl-1-oxo-2-(2-oxoethyl)octane-1-sulfonic acid CAS Name: 4-ethyl-1-oxo-2-(2-oxoethyl)-1-octanesulfonic acid IUPAC Name: 4-ethyl-1-oxo-2-(2-oxoethyl)octane-1-sulfonic acid Traditional Name: 4-ethyl-1-keto-2-(2-ketoethyl)octane-1-sulfonic acid Formula: C12H22O5S MolecularWeight: 278.36508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC=O)C(=O)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CC(CC=O)C(=O)S(=O)(=O)O

InChI

InChI=1S/C12H22O5S/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)