1-propoxypropyl 4-methylbenzenesulfonate

Systemtic Name: 1-propoxypropyl 4-methylbenzenesulfonate Openeye Name: 1-propoxypropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-propoxypropyl ester IUPAC Name: 1-propoxypropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-propoxypropyl ester Formula: C13H20O4S MolecularWeight: 272.3605

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CC)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCOC(CC)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H20O4S/c1-4-10-16-13(5-2)17-18(14,15)12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3