(phenylmethyl) 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoate

Systemtic Name: (phenylmethyl) 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoate Openeye Name: benzyl 2,6-bis(p-tolylsulfonyloxy)hexanoate CAS Name: 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoate Traditional Name: 2,6-ditosyloxyhexanoic acid benzyl ester Formula: C27H30O8S2 MolecularWeight: 546.6523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC(C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC(C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H30O8S2/c1-21-11-15-24(16-12-21)36(29,30)34-19-7-6-10-26(27(28)33-20-23-8-4-3-5-9-23)35-37(31,32)25-17-13-22(2)14-18-25/h3-5,8-9,11-18,26H,6-7,10,19-20H2,1-2H3