2-(5-methyl-2-methylsulfanyl-phenyl)ethanoate

Systemtic Name: 2-(5-methyl-2-methylsulfanyl-phenyl)ethanoate Openeye Name: 2-(5-methyl-2-methylsulfanyl-phenyl)acetate CAS Name: 2-[5-methyl-2-(methylthio)phenyl]acetate IUPAC Name: 2-(5-methyl-2-methylsulfanylphenyl)acetate Traditional Name: 2-[5-methyl-2-(methylthio)phenyl]acetate Formula: C10H11O2S- MolecularWeight: 195.25814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O2S/c1-7-3-4-9(13-2)8(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)/p-1