3-oxidanyl-5-(phenylmethylsulfanyl)pentanoate

Systemtic Name: 3-oxidanyl-5-(phenylmethylsulfanyl)pentanoate Openeye Name: 5-benzylsulfanyl-3-hydroxy-pentanoate CAS Name: 3-hydroxy-5-(phenylmethylthio)pentanoate IUPAC Name: 5-benzylsulfanyl-3-hydroxypentanoate Traditional Name: 5-(benzylthio)-3-hydroxy-valerate Formula: C12H15O3S- MolecularWeight: 239.3107

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(CC(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(CC(=O)[O-])O

InChI

InChI=1S/C12H16O3S/c13-11(8-12(14)15)6-7-16-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/p-1