3-oxidanyl-2-(phenylmethylsulfanyl)pentanoic acid

Systemtic Name: 3-oxidanyl-2-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 2-benzylsulfanyl-3-hydroxy-pentanoic acid CAS Name: 3-hydroxy-2-(phenylmethylthio)pentanoic acid IUPAC Name: 2-benzylsulfanyl-3-hydroxypentanoic acid Traditional Name: 2-(benzylthio)-3-hydroxy-valeric acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)O)SCC1=CC=CC=C1)O

Isomeric SMILES

CCC(C(C(=O)O)SCC1=CC=CC=C1)O

InChI

InChI=1S/C12H16O3S/c1-2-10(13)11(12(14)15)16-8-9-6-4-3-5-7-9/h3-7,10-11,13H,2,8H2,1H3,(H,14,15)