[(2R)-2-methanoyl-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-methanoyl-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-formyl-3-[3-methoxy-4-(p-tolylsulfonyloxy)phenyl]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-formyl-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]propyl] ester IUPAC Name: [(2R)-2-formyl-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-formyl-3-(3-methoxy-4-tosyloxy-phenyl)propyl] ester Formula: C25H26O8S2 MolecularWeight: 518.59914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC)C=O

InChI

InChI=1S/C25H26O8S2/c1-18-4-9-22(10-5-18)34(27,28)32-17-21(16-26)14-20-8-13-24(25(15-20)31-3)33-35(29,30)23-11-6-19(2)7-12-23/h4-13,15-16,21H,14,17H2,1-3H3/t21-/m0/s1