[2-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate Openeye Name: [2-[(2-methoxyphenyl)methyl]-3-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyloxypropyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-o-anisyl-3-tosyloxy-propyl) ester Formula: C25H28O7S2 MolecularWeight: 504.61562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=CC=C2OC)COS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=CC=C2OC)COS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H28O7S2/c1-19-8-12-23(13-9-19)33(26,27)31-17-21(16-22-6-4-5-7-25(22)30-3)18-32-34(28,29)24-14-10-20(2)11-15-24/h4-15,21H,16-18H2,1-3H3