bis(phenylmethyl) 2-[(phenylmethyl)sulfonylmethyl]pentanedioate

Systemtic Name: bis(phenylmethyl) 2-[(phenylmethyl)sulfonylmethyl]pentanedioate Openeye Name: dibenzyl 2-(benzylsulfonylmethyl)pentanedioate CAS Name: 2-[(phenylmethyl)sulfonylmethyl]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-(benzylsulfonylmethyl)pentanedioate Traditional Name: 2-(benzylsulfonylmethyl)glutaric acid dibenzyl ester Formula: C27H28O6S MolecularWeight: 480.57262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28O6S/c28-26(32-18-22-10-4-1-5-11-22)17-16-25(27(29)33-19-23-12-6-2-7-13-23)21-34(30,31)20-24-14-8-3-9-15-24/h1-15,25H,16-21H2