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

Systemtic Name: 2-[3-(3-methylphenoxy)propylsulfanyl]ethanoic acid Openeye Name: 2-[3-(3-methylphenoxy)propylsulfanyl]acetic acid CAS Name: 2-[3-(3-methylphenoxy)propylthio]acetic acid IUPAC Name: 2-[3-(3-methylphenoxy)propylsulfanyl]acetic acid Traditional Name: 2-[3-(3-methylphenoxy)propylthio]acetic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCSCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCCSCC(=O)O

InChI

InChI=1S/C12H16O3S/c1-10-4-2-5-11(8-10)15-6-3-7-16-9-12(13)14/h2,4-5,8H,3,6-7,9H2,1H3,(H,13,14)