1-hexadecoxybutyl hydrogen sulfate

Systemtic Name: 1-hexadecoxybutyl hydrogen sulfate Openeye Name: 1-hexadecoxybutyl hydrogen sulfate CAS Name: sulfuric acid 1-hexadecoxybutyl ester IUPAC Name: 1-hexadecoxybutyl hydrogen sulfate Traditional Name: sulfuric acid 1-cetyloxybutyl ester Formula: C20H42O5S MolecularWeight: 394.60948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(CCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(CCC)OS(=O)(=O)O

InChI

InChI=1S/C20H42O5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-20(18-4-2)25-26(21,22)23/h20H,3-19H2,1-2H3,(H,21,22,23)