[3-(4-ethanoylphenoxy)-2-methyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(4-ethanoylphenoxy)-2-methyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-(4-acetylphenoxy)-2-methyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(4-acetylphenoxy)-2-methylpropyl] ester IUPAC Name: [3-(4-acetylphenoxy)-2-methylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(4-acetylphenoxy)-2-methyl-propyl] ester Formula: C19H22O5S MolecularWeight: 362.43998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)COC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)COC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C19H22O5S/c1-14-4-10-19(11-5-14)25(21,22)24-13-15(2)12-23-18-8-6-17(7-9-18)16(3)20/h4-11,15H,12-13H2,1-3H3