2-[(phenylmethyl)sulfinylmethyl]pentanedioic acid

Systemtic Name: 2-[(phenylmethyl)sulfinylmethyl]pentanedioic acid Openeye Name: 2-(benzylsulfinylmethyl)pentanedioic acid CAS Name: 2-[(phenylmethyl)sulfinylmethyl]pentanedioic acid IUPAC Name: 2-(benzylsulfinylmethyl)pentanedioic acid Traditional Name: 2-(benzylsulfinylmethyl)glutaric acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)CC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)CC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H16O5S/c14-12(15)7-6-11(13(16)17)9-19(18)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)(H,16,17)