[4-methyl-3-[2-(4-methylphenyl)sulfonyloxyethyl]pentyl] 4-methylbenzenesulfonate

Systemtic Name: [4-methyl-3-[2-(4-methylphenyl)sulfonyloxyethyl]pentyl] 4-methylbenzenesulfonate Openeye Name: [4-methyl-3-[2-(p-tolylsulfonyloxy)ethyl]pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-methyl-3-[2-(4-methylphenyl)sulfonyloxyethyl]pentyl] ester IUPAC Name: [4-methyl-3-[2-(4-methylphenyl)sulfonyloxyethyl]pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-methyl-3-(2-tosyloxyethyl)pentyl] ester Formula: C22H30O6S2 MolecularWeight: 454.6

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O6S2/c1-17(2)20(13-15-27-29(23,24)21-9-5-18(3)6-10-21)14-16-28-30(25,26)22-11-7-19(4)8-12-22/h5-12,17,20H,13-16H2,1-4H3