2-[3-(3-methylphenoxy)propylsulfanyl]propanoic acid

Systemtic Name: 2-[3-(3-methylphenoxy)propylsulfanyl]propanoic acid Openeye Name: 2-[3-(3-methylphenoxy)propylsulfanyl]propanoic acid CAS Name: 2-[3-(3-methylphenoxy)propylthio]propanoic acid IUPAC Name: 2-[3-(3-methylphenoxy)propylsulfanyl]propanoic acid Traditional Name: 2-[3-(3-methylphenoxy)propylthio]propionic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3S/c1-10-5-3-6-12(9-10)16-7-4-8-17-11(2)13(14)15/h3,5-6,9,11H,4,7-8H2,1-2H3,(H,14,15)