[(2S,6R)-2,6-dimethyl-7-(4-methylphenyl)sulfonyloxy-heptyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,6R)-2,6-dimethyl-7-(4-methylphenyl)sulfonyloxy-heptyl] 4-methylbenzenesulfonate Openeye Name: [(2S,6R)-2,6-dimethyl-7-(p-tolylsulfonyloxy)heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,6R)-2,6-dimethyl-7-(4-methylphenyl)sulfonyloxyheptyl] ester IUPAC Name: [(2S,6R)-2,6-dimethyl-7-(4-methylphenyl)sulfonyloxyheptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,6R)-2,6-dimethyl-7-tosyloxy-heptyl] ester Formula: C23H32O6S2 MolecularWeight: 468.62658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32O6S2/c1-18-8-12-22(13-9-18)30(24,25)28-16-20(3)6-5-7-21(4)17-29-31(26,27)23-14-10-19(2)11-15-23/h8-15,20-21H,5-7,16-17H2,1-4H3/t20-,21+