2-ethenyl-5-phenylsulfanyl-pentanoic acid

Systemtic Name: 2-ethenyl-5-phenylsulfanyl-pentanoic acid Openeye Name: 5-phenylsulfanyl-2-vinyl-pentanoic acid CAS Name: 2-ethenyl-5-(phenylthio)pentanoic acid IUPAC Name: 2-ethenyl-5-phenylsulfanylpentanoic acid Traditional Name: 2-[3-(phenylthio)propyl]but-3-enoic acid Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CCCSC1=CC=CC=C1)C(=O)O

Isomeric SMILES

C=CC(CCCSC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H16O2S/c1-2-11(13(14)15)7-6-10-16-12-8-4-3-5-9-12/h2-5,8-9,11H,1,6-7,10H2,(H,14,15)