3-ethoxypropyl 4-methylbenzenesulfonate

Systemtic Name: 3-ethoxypropyl 4-methylbenzenesulfonate Openeye Name: 3-ethoxypropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-ethoxypropyl ester IUPAC Name: 3-ethoxypropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-ethoxypropyl ester Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOCCCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C12H18O4S/c1-3-15-9-4-10-16-17(13,14)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3