1-butoxypropan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-butoxypropan-2-yl 4-methylbenzenesulfonate Openeye Name: (2-butoxy-1-methyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-butoxypropan-2-yl ester IUPAC Name: 1-butoxypropan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-butoxy-1-methyl-ethyl) ester Formula: C14H22O4S MolecularWeight: 286.38708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4S/c1-4-5-10-17-11-13(3)18-19(15,16)14-8-6-12(2)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3