2,3-bis(phenylmethyl)-2-[(phenylmethyl)sulfonylmethyl]pentanedioic acid

Systemtic Name: 2,3-bis(phenylmethyl)-2-[(phenylmethyl)sulfonylmethyl]pentanedioic acid Openeye Name: 2,3-dibenzyl-2-(benzylsulfonylmethyl)pentanedioic acid CAS Name: 2,3-bis(phenylmethyl)-2-[(phenylmethyl)sulfonylmethyl]pentanedioic acid IUPAC Name: 2,3-dibenzyl-2-(benzylsulfonylmethyl)pentanedioic acid Traditional Name: 2,3-dibenzyl-2-(benzylsulfonylmethyl)glutaric acid Formula: C27H28O6S MolecularWeight: 480.57262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)O)C(CC2=CC=CC=C2)(CS(=O)(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)O)C(CC2=CC=CC=C2)(CS(=O)(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H28O6S/c28-25(29)17-24(16-21-10-4-1-5-11-21)27(26(30)31,18-22-12-6-2-7-13-22)20-34(32,33)19-23-14-8-3-9-15-23/h1-15,24H,16-20H2,(H,28,29)(H,30,31)