3-ethyl-3-(phenylmethylsulfanyl)pentanoic acid

Systemtic Name: 3-ethyl-3-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 3-benzylsulfanyl-3-ethyl-pentanoic acid CAS Name: 3-ethyl-3-(phenylmethylthio)pentanoic acid IUPAC Name: 3-benzylsulfanyl-3-ethylpentanoic acid Traditional Name: 3-(benzylthio)-3-ethyl-valeric acid Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2S/c1-3-14(4-2,10-13(15)16)17-11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,16)