hexyl 2-sulfooxyhexanoate

Systemtic Name: hexyl 2-sulfooxyhexanoate Openeye Name: hexyl 2-sulfooxyhexanoate CAS Name: 2-sulfooxyhexanoic acid hexyl ester IUPAC Name: hexyl 2-sulfooxyhexanoate Traditional Name: 2-sulfoxyhexanoic acid hexyl ester Formula: C12H24O6S MolecularWeight: 296.38036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCOC(=O)C(CCCC)OS(=O)(=O)O

InChI

InChI=1S/C12H24O6S/c1-3-5-7-8-10-17-12(13)11(9-6-4-2)18-19(14,15)16/h11H,3-10H2,1-2H3,(H,14,15,16)