3-(2,5-dimethylphenyl)sulfanylpropanoate

Systemtic Name: 3-(2,5-dimethylphenyl)sulfanylpropanoate Openeye Name: 3-(2,5-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(2,5-dimethylphenyl)thio]propanoate IUPAC Name: 3-(2,5-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(2,5-dimethylphenyl)thio]propionate Formula: C11H13O2S- MolecularWeight: 209.28472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-8-3-4-9(2)10(7-8)14-6-5-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)/p-1