hexyl 2-sulfooxyoctanoate

Systemtic Name: hexyl 2-sulfooxyoctanoate Openeye Name: hexyl 2-sulfooxyoctanoate CAS Name: 2-sulfooxyoctanoic acid hexyl ester IUPAC Name: hexyl 2-sulfooxyoctanoate Traditional Name: 2-sulfoxycaprylic acid hexyl ester Formula: C14H28O6S MolecularWeight: 324.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCCCCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)OCCCCCC)OS(=O)(=O)O

InChI

InChI=1S/C14H28O6S/c1-3-5-7-9-11-13(20-21(16,17)18)14(15)19-12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,16,17,18)