3-[(4-methylphenyl)methylsulfanyl]propanoate

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]propanoate Openeye Name: 3-(p-tolylmethylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)methylthio]propanoate IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]propanoate Traditional Name: 3-[(4-methylbenzyl)thio]propionate Formula: C11H13O2S- MolecularWeight: 209.28472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSCCC(=O)[O-]

InChI

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