3-(4-bromanyl-3-methyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4-bromanyl-3-methyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(4-bromo-3-methyl-phenyl)sulfanylpropanoic acid CAS Name: 3-[(4-bromo-3-methylphenyl)thio]propanoic acid IUPAC Name: 3-(4-bromo-3-methylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-bromo-3-methyl-phenyl)thio]propionic acid Formula: C10H11BrO2S MolecularWeight: 275.16214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCCC(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)SCCC(=O)O)Br

InChI

InChI=1S/C10H11BrO2S/c1-7-6-8(2-3-9(7)11)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)