octyl 2,5-bis-(4-methylphenyl)sulfonyloxypentanoate

Systemtic Name: octyl 2,5-bis-(4-methylphenyl)sulfonyloxypentanoate Openeye Name: octyl 2,5-bis(p-tolylsulfonyloxy)pentanoate CAS Name: 2,5-bis-(4-methylphenyl)sulfonyloxypentanoic acid octyl ester IUPAC Name: octyl 2,5-bis-(4-methylphenyl)sulfonyloxypentanoate Traditional Name: 2,5-ditosyloxyvaleric acid octyl ester Formula: C27H38O8S2 MolecularWeight: 554.71582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CCCOS(=O)(=O)C1=CC=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCOC(=O)C(CCCOS(=O)(=O)C1=CC=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C27H38O8S2/c1-4-5-6-7-8-9-20-33-27(28)26(35-37(31,32)25-18-14-23(3)15-19-25)11-10-21-34-36(29,30)24-16-12-22(2)13-17-24/h12-19,26H,4-11,20-21H2,1-3H3