[(2R,3R)-2,4-dimethyl-3-phenylmethoxy-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-2,4-dimethyl-3-phenylmethoxy-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-3-benzyloxy-2,4-dimethyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-2,4-dimethyl-3-phenylmethoxypentyl] ester IUPAC Name: [(2R,3R)-2,4-dimethyl-3-phenylmethoxypentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-3-benzoxy-2,4-dimethyl-pentyl] ester Formula: C21H28O4S MolecularWeight: 378.502162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C(C(C)C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[14CH2][C@H](C)[C@@H](C(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C21H28O4S/c1-16(2)21(24-15-19-8-6-5-7-9-19)18(4)14-25-26(22,23)20-12-10-17(3)11-13-20/h5-13,16,18,21H,14-15H2,1-4H3/t18-,21+/m0/s1/i14+2