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

Systemtic Name: phenethyl 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoate Openeye Name: phenethyl 2,6-bis(p-tolylsulfonyloxy)hexanoate CAS Name: 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoic acid phenethyl ester IUPAC Name: phenethyl 2,6-bis-(4-methylphenyl)sulfonyloxyhexanoate Traditional Name: 2,6-ditosyloxyhexanoic acid phenethyl ester Formula: C28H32O8S2 MolecularWeight: 560.67888

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H32O8S2/c1-22-11-15-25(16-12-22)37(30,31)35-20-7-6-10-27(28(29)34-21-19-24-8-4-3-5-9-24)36-38(32,33)26-17-13-23(2)14-18-26/h3-5,8-9,11-18,27H,6-7,10,19-21H2,1-2H3