phenethyl 2,4-bis-(4-methylphenyl)sulfonyloxybutanoate

Systemtic Name: phenethyl 2,4-bis-(4-methylphenyl)sulfonyloxybutanoate Openeye Name: phenethyl 2,4-bis(p-tolylsulfonyloxy)butanoate CAS Name: 2,4-bis-(4-methylphenyl)sulfonyloxybutanoic acid phenethyl ester IUPAC Name: phenethyl 2,4-bis-(4-methylphenyl)sulfonyloxybutanoate Traditional Name: 2,4-ditosyloxybutyric acid phenethyl ester Formula: C26H28O8S2 MolecularWeight: 532.62572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C(=O)OCCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C(=O)OCCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H28O8S2/c1-20-8-12-23(13-9-20)35(28,29)33-19-17-25(26(27)32-18-16-22-6-4-3-5-7-22)34-36(30,31)24-14-10-21(2)11-15-24/h3-15,25H,16-19H2,1-2H3