[1,1,4,4-tetradeuterio-4-(4-methylphenyl)sulfonyloxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [1,1,4,4-tetradeuterio-4-(4-methylphenyl)sulfonyloxy-butyl] 4-methylbenzenesulfonate Openeye Name: [1,1,4,4-tetradeuterio-4-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1,1,4,4-tetradeuterio-4-(4-methylphenyl)sulfonyloxybutyl] ester IUPAC Name: [1,1,4,4-tetradeuterio-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,1,4,4-tetradeuterio-4-tosyloxy-butyl) ester Formula: C18H22O6S2 MolecularWeight: 402.518327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

[2H]C([2H])(CCC([2H])([2H])OS(=O)(=O)C1=CC=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H22O6S2/c1-15-5-9-17(10-6-15)25(19,20)23-13-3-4-14-24-26(21,22)18-11-7-16(2)8-12-18/h5-12H,3-4,13-14H2,1-2H3/i13D2,14D2