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

Systemtic Name: 2-[3-(3,4-dimethylphenoxy)propylsulfanyl]ethanoic acid Openeye Name: 2-[3-(3,4-dimethylphenoxy)propylsulfanyl]acetic acid CAS Name: 2-[3-(3,4-dimethylphenoxy)propylthio]acetic acid IUPAC Name: 2-[3-(3,4-dimethylphenoxy)propylsulfanyl]acetic acid Traditional Name: 2-[3-(3,4-dimethylphenoxy)propylthio]acetic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCCSCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCCSCC(=O)O)C

InChI

InChI=1S/C13H18O3S/c1-10-4-5-12(8-11(10)2)16-6-3-7-17-9-13(14)15/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,15)