methyl 3-(2,4,6-trimethylphenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2,4,6-trimethylphenyl)sulfanylpropanoate Openeye Name: methyl 3-(2,4,6-trimethylphenyl)sulfanylpropanoate CAS Name: 3-[(2,4,6-trimethylphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2,4,6-trimethylphenyl)sulfanylpropanoate Traditional Name: 3-(mesitylthio)propionic acid methyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCCC(=O)OC)C

InChI

InChI=1S/C13H18O2S/c1-9-7-10(2)13(11(3)8-9)16-6-5-12(14)15-4/h7-8H,5-6H2,1-4H3