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

Systemtic Name: [(2R,3R,4S)-2,4-dimethyl-3-phenylmethoxy-hexyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R,4S)-3-benzyloxy-2,4-dimethyl-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R,4S)-2,4-dimethyl-3-phenylmethoxyhexyl] ester IUPAC Name: [(2R,3R,4S)-2,4-dimethyl-3-phenylmethoxyhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R,4S)-3-benzoxy-2,4-dimethyl-hexyl] ester Formula: C22H30O4S MolecularWeight: 392.528742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O4S/c1-5-18(3)22(25-16-20-9-7-6-8-10-20)19(4)15-26-27(23,24)21-13-11-17(2)12-14-21/h6-14,18-19,22H,5,15-16H2,1-4H3/t18-,19-,22+/m0/s1/i15+2