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

Systemtic Name: octyl 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoate Openeye Name: octyl 2,6-bis(p-tolylsulfonyloxy)hexanoate CAS Name: 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoic acid octyl ester IUPAC Name: octyl 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoate Traditional Name: 2,6-ditosyloxyhexanoic acid octyl ester Formula: C28H40O8S2 MolecularWeight: 568.7424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40O8S2/c1-4-5-6-7-8-10-21-34-28(29)27(36-38(32,33)26-19-15-24(3)16-20-26)12-9-11-22-35-37(30,31)25-17-13-23(2)14-18-25/h13-20,27H,4-12,21-22H2,1-3H3