hexyl 3-sulfooxybutanoate

Systemtic Name: hexyl 3-sulfooxybutanoate Openeye Name: hexyl 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid hexyl ester IUPAC Name: hexyl 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid hexyl ester Formula: C10H20O6S MolecularWeight: 268.3272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCOC(=O)CC(C)OS(=O)(=O)O

InChI

InChI=1S/C10H20O6S/c1-3-4-5-6-7-15-10(11)8-9(2)16-17(12,13)14/h9H,3-8H2,1-2H3,(H,12,13,14)