1-phenylethyl 2,4-bis-(4-methylphenyl)sulfonyloxybutanoate

Systemtic Name: 1-phenylethyl 2,4-bis-(4-methylphenyl)sulfonyloxybutanoate Openeye Name: 1-phenylethyl 2,4-bis(p-tolylsulfonyloxy)butanoate CAS Name: 2,4-bis-(4-methylphenyl)sulfonyloxybutanoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 2,4-bis-(4-methylphenyl)sulfonyloxybutanoate Traditional Name: 2,4-ditosyloxybutyric acid 1-phenylethyl 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)OC(C)C2=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)OC(C)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H28O8S2/c1-19-9-13-23(14-10-19)35(28,29)32-18-17-25(26(27)33-21(3)22-7-5-4-6-8-22)34-36(30,31)24-15-11-20(2)12-16-24/h4-16,21,25H,17-18H2,1-3H3