[(3S)-4-(4-methylphenyl)sulfonyloxy-3-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-4-(4-methylphenyl)sulfonyloxy-3-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(3S)-3-hydroxy-4-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] ester IUPAC Name: [(3S)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxy-4-tosyloxy-butyl] ester Formula: C18H22O7S2 MolecularWeight: 414.49308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O7S2/c1-14-3-7-17(8-4-14)26(20,21)24-12-11-16(19)13-25-27(22,23)18-9-5-15(2)6-10-18/h3-10,16,19H,11-13H2,1-2H3/t16-/m0/s1