[4,4-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [4,4-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [4,4-dimethyl-3-phenyl-2-(p-tolylsulfonyloxymethyl)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,4-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenylpentyl] ester IUPAC Name: [4,4-dimethyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-phenylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4,4-dimethyl-3-phenyl-2-(tosyloxymethyl)pentyl] ester Formula: C28H34O6S2 MolecularWeight: 530.69596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)C(C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)C(C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C28H34O6S2/c1-21-11-15-25(16-12-21)35(29,30)33-19-24(27(28(3,4)5)23-9-7-6-8-10-23)20-34-36(31,32)26-17-13-22(2)14-18-26/h6-18,24,27H,19-20H2,1-5H3