2-(2-phenyl-1-sulfanyl-ethoxy)pentanedioic acid

Systemtic Name: 2-(2-phenyl-1-sulfanyl-ethoxy)pentanedioic acid Openeye Name: 2-(2-phenyl-1-sulfanyl-ethoxy)pentanedioic acid CAS Name: 2-(1-mercapto-2-phenylethoxy)pentanedioic acid IUPAC Name: 2-(2-phenyl-1-sulfanylethoxy)pentanedioic acid Traditional Name: 2-(1-mercapto-2-phenyl-ethoxy)glutaric acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(OC(CCC(=O)O)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC(OC(CCC(=O)O)C(=O)O)S

InChI

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