3-(2-methoxy-4,5-dimethyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(2-methoxy-4,5-dimethyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(2-methoxy-4,5-dimethyl-phenyl)sulfanylpropanoic acid CAS Name: 3-[(2-methoxy-4,5-dimethylphenyl)thio]propanoic acid IUPAC Name: 3-(2-methoxy-4,5-dimethylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(2-methoxy-4,5-dimethyl-phenyl)thio]propionic acid Formula: C12H16O3S MolecularWeight: 240.31864

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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)