[(2R,3S)-4-(4-methylphenyl)sulfonyloxy-2,3-bis(oxidanyl)butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S)-4-(4-methylphenyl)sulfonyloxy-2,3-bis(oxidanyl)butyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3S)-2,3-dihydroxy-4-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-2,3-dihydroxy-4-(4-methylphenyl)sulfonyloxybutyl] ester IUPAC Name: [(2R,3S)-2,3-dihydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3S)-2,3-dihydroxy-4-tosyloxy-butyl] ester Formula: C18H22O8S2 MolecularWeight: 430.49248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O8S2/c1-13-3-7-15(8-4-13)27(21,22)25-11-17(19)18(20)12-26-28(23,24)16-9-5-14(2)6-10-16/h3-10,17-20H,11-12H2,1-2H3/t17-,18+