octan-3-yl hydrogen sulfate

Systemtic Name: octan-3-yl hydrogen sulfate Openeye Name: 1-ethylhexyl hydrogen sulfate CAS Name: sulfuric acid octan-3-yl ester IUPAC Name: octan-3-yl hydrogen sulfate Traditional Name: sulfuric acid 1-ethylhexyl ester Formula: C8H18O4S MolecularWeight: 210.29112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OS(=O)(=O)O

Isomeric SMILES

CCCCCC(CC)OS(=O)(=O)O

InChI

InChI=1S/C8H18O4S/c1-3-5-6-7-8(4-2)12-13(9,10)11/h8H,3-7H2,1-2H3,(H,9,10,11)