octyl 3-sulfooxybutanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)CC(C)OS(=O)(=O)O

InChI

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