3-[3-(2,5-dimethylphenoxy)propylsulfanyl]propanoic acid

Systemtic Name: 3-[3-(2,5-dimethylphenoxy)propylsulfanyl]propanoic acid Openeye Name: 3-[3-(2,5-dimethylphenoxy)propylsulfanyl]propanoic acid CAS Name: 3-[3-(2,5-dimethylphenoxy)propylthio]propanoic acid IUPAC Name: 3-[3-(2,5-dimethylphenoxy)propylsulfanyl]propanoic acid Traditional Name: 3-[3-(2,5-dimethylphenoxy)propylthio]propionic acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCSCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCSCCC(=O)O

InChI

InChI=1S/C14H20O3S/c1-11-4-5-12(2)13(10-11)17-7-3-8-18-9-6-14(15)16/h4-5,10H,3,6-9H2,1-2H3,(H,15,16)