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

Systemtic Name: 3-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(4-bromo-2,5-dimethyl-phenyl)sulfanylpropanoic acid CAS Name: 3-[(4-bromo-2,5-dimethylphenyl)thio]propanoic acid IUPAC Name: 3-(4-bromo-2,5-dimethylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-bromo-2,5-dimethyl-phenyl)thio]propionic acid Formula: C11H13BrO2S MolecularWeight: 289.18872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCCC(=O)O

InChI

InChI=1S/C11H13BrO2S/c1-7-6-10(8(2)5-9(7)12)15-4-3-11(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)