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

Systemtic Name: phenyl 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoate Openeye Name: phenyl 2,6-bis(p-tolylsulfonyloxy)hexanoate CAS Name: 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoic acid phenyl ester IUPAC Name: phenyl 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoate Traditional Name: 2,6-ditosyloxyhexanoic acid phenyl ester Formula: C26H28O8S2 MolecularWeight: 532.62572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC(C(=O)OC2=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)OC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

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