2-ethylhexyl 3-sulfooxybutanoate

Systemtic Name: 2-ethylhexyl 3-sulfooxybutanoate Openeye Name: 2-ethylhexyl 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid 2-ethylhexyl ester Formula: C12H24O6S MolecularWeight: 296.38036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24O6S/c1-4-6-7-11(5-2)9-17-12(13)8-10(3)18-19(14,15)16/h10-11H,4-9H2,1-3H3,(H,14,15,16)