1-ethoxypropyl 4-methylbenzenesulfonate

Systemtic Name: 1-ethoxypropyl 4-methylbenzenesulfonate Openeye Name: 1-ethoxypropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-ethoxypropyl ester IUPAC Name: 1-ethoxypropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-ethoxypropyl ester Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OCC)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(OCC)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C12H18O4S/c1-4-12(15-5-2)16-17(13,14)11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3