3-(2-methoxy-4,5-dimethyl-phenyl)sulfanylpropanoate

Systemtic Name: 3-(2-methoxy-4,5-dimethyl-phenyl)sulfanylpropanoate Openeye Name: 3-(2-methoxy-4,5-dimethyl-phenyl)sulfanylpropanoate CAS Name: 3-[(2-methoxy-4,5-dimethylphenyl)thio]propanoate IUPAC Name: 3-(2-methoxy-4,5-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(2-methoxy-4,5-dimethyl-phenyl)thio]propionate Formula: C12H15O3S- MolecularWeight: 239.3107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)SCCC(=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1C)SCCC(=O)[O-])OC

InChI

InChI=1S/C12H16O3S/c1-8-6-10(15-3)11(7-9(8)2)16-5-4-12(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/p-1