pentyl (phenylmethyl) sulfate

Systemtic Name: pentyl (phenylmethyl) sulfate Openeye Name: benzyl pentyl sulfate CAS Name: sulfuric acid pentyl (phenylmethyl) ester IUPAC Name: benzyl pentyl sulfate Traditional Name: sulfuric acid amyl benzyl ester Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOS(=O)(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCOS(=O)(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H18O4S/c1-2-3-7-10-15-17(13,14)16-11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3