phenethyl 2,5-bis-(4-methylphenyl)sulfonyloxypentanoate

Systemtic Name: phenethyl 2,5-bis-(4-methylphenyl)sulfonyloxypentanoate Openeye Name: phenethyl 2,5-bis(p-tolylsulfonyloxy)pentanoate CAS Name: 2,5-bis-(4-methylphenyl)sulfonyloxypentanoic acid phenethyl ester IUPAC Name: phenethyl 2,5-bis-(4-methylphenyl)sulfonyloxypentanoate Traditional Name: 2,5-ditosyloxyvaleric acid phenethyl ester Formula: C27H30O8S2 MolecularWeight: 546.6523

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H30O8S2/c1-21-10-14-24(15-11-21)36(29,30)34-19-6-9-26(27(28)33-20-18-23-7-4-3-5-8-23)35-37(31,32)25-16-12-22(2)13-17-25/h3-5,7-8,10-17,26H,6,9,18-20H2,1-2H3