2-[3-(3,4-dimethylphenoxy)propylsulfanyl]propanoic acid

Systemtic Name: 2-[3-(3,4-dimethylphenoxy)propylsulfanyl]propanoic acid Openeye Name: 2-[3-(3,4-dimethylphenoxy)propylsulfanyl]propanoic acid CAS Name: 2-[3-(3,4-dimethylphenoxy)propylthio]propanoic acid IUPAC Name: 2-[3-(3,4-dimethylphenoxy)propylsulfanyl]propanoic acid Traditional Name: 2-[3-(3,4-dimethylphenoxy)propylthio]propionic acid Formula: C14H20O3S MolecularWeight: 268.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCCSC(C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCCSC(C)C(=O)O)C

InChI

InChI=1S/C14H20O3S/c1-10-5-6-13(9-11(10)2)17-7-4-8-18-12(3)14(15)16/h5-6,9,12H,4,7-8H2,1-3H3,(H,15,16)