3-(2-phenethyloxyethylsulfanyl)propanoic acid

Systemtic Name: 3-(2-phenethyloxyethylsulfanyl)propanoic acid Openeye Name: 3-(2-phenethyloxyethylsulfanyl)propanoic acid CAS Name: 3-(2-phenethyloxyethylthio)propanoic acid IUPAC Name: 3-(2-phenethyloxyethylsulfanyl)propanoic acid Traditional Name: 3-(2-phenethyloxyethylthio)propionic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOCCSCCC(=O)O

InChI

InChI=1S/C13H18O3S/c14-13(15)7-10-17-11-9-16-8-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,14,15)