2-(phenethylsulfinylmethyl)pentanedioic acid

Systemtic Name: 2-(phenethylsulfinylmethyl)pentanedioic acid Openeye Name: 2-(phenethylsulfinylmethyl)pentanedioic acid CAS Name: 2-(phenethylsulfinylmethyl)pentanedioic acid IUPAC Name: 2-(phenethylsulfinylmethyl)pentanedioic acid Traditional Name: 2-(phenethylsulfinylmethyl)glutaric acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O5S/c15-13(16)7-6-12(14(17)18)10-20(19)9-8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)(H,17,18)