3-[(3-methylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(3-methylphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-(m-tolylmethylsulfanyl)propanoic acid CAS Name: 3-[(3-methylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(3-methylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(3-methylbenzyl)thio]propionic acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCCC(=O)O

InChI

InChI=1S/C11H14O2S/c1-9-3-2-4-10(7-9)8-14-6-5-11(12)13/h2-4,7H,5-6,8H2,1H3,(H,12,13)