[(2R,3R)-2,3-dimethyl-4-(4-methylphenyl)sulfonyloxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-2,3-dimethyl-4-(4-methylphenyl)sulfonyloxy-butyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-2,3-dimethyl-4-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-2,3-dimethyl-4-(4-methylphenyl)sulfonyloxybutyl] ester IUPAC Name: [(2R,3R)-2,3-dimethyl-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-2,3-dimethyl-4-tosyloxy-butyl] ester Formula: C20H26O6S2 MolecularWeight: 426.54684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)[C@@H](C)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H26O6S2/c1-15-5-9-19(10-6-15)27(21,22)25-13-17(3)18(4)14-26-28(23,24)20-11-7-16(2)8-12-20/h5-12,17-18H,13-14H2,1-4H3/t17-,18-/m0/s1