2-ethylhexyl 2-sulfooxyhexanoate

Systemtic Name: 2-ethylhexyl 2-sulfooxyhexanoate Openeye Name: 2-ethylhexyl 2-sulfooxyhexanoate CAS Name: 2-sulfooxyhexanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 2-sulfooxyhexanoate Traditional Name: 2-sulfoxyhexanoic acid 2-ethylhexyl ester Formula: C14H28O6S MolecularWeight: 324.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(CCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCC(CC)COC(=O)C(CCCC)OS(=O)(=O)O

InChI

InChI=1S/C14H28O6S/c1-4-7-9-12(6-3)11-19-14(15)13(10-8-5-2)20-21(16,17)18/h12-13H,4-11H2,1-3H3,(H,16,17,18)