[(2S)-3-butoxy-2-phenylmethoxy-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-butoxy-2-phenylmethoxy-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-benzyloxy-3-butoxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-butoxy-2-phenylmethoxypropyl] ester IUPAC Name: [(2S)-3-butoxy-2-phenylmethoxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-benzoxy-3-butoxy-propyl] ester Formula: C21H28O5S MolecularWeight: 392.50902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(COS(=O)(=O)C1=CC=C(C=C1)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCCOC[C@@H](COS(=O)(=O)C1=CC=C(C=C1)C)OCC2=CC=CC=C2

InChI

InChI=1S/C21H28O5S/c1-3-4-14-24-16-20(25-15-19-8-6-5-7-9-19)17-26-27(22,23)21-12-10-18(2)11-13-21/h5-13,20H,3-4,14-17H2,1-2H3/t20-/m0/s1