[4-chloranyl-3-(4-methylphenyl)sulfonyloxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [4-chloranyl-3-(4-methylphenyl)sulfonyloxy-butyl] 4-methylbenzenesulfonate Openeye Name: [4-chloro-3-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-chloro-3-(4-methylphenyl)sulfonyloxybutyl] ester IUPAC Name: [4-chloro-3-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-chloro-3-tosyloxy-butyl) ester Formula: C18H21ClO6S2 MolecularWeight: 432.93874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CCl)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CCl)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H21ClO6S2/c1-14-3-7-17(8-4-14)26(20,21)24-12-11-16(13-19)25-27(22,23)18-9-5-15(2)6-10-18/h3-10,16H,11-13H2,1-2H3