3-[3,5-bis(bromanyl)-4-sulfanyl-phenyl]propanoic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-4-sulfanyl-phenyl]propanoic acid Openeye Name: 3-(3,5-dibromo-4-sulfanyl-phenyl)propanoic acid CAS Name: 3-(3,5-dibromo-4-mercaptophenyl)propanoic acid IUPAC Name: 3-(3,5-dibromo-4-sulfanylphenyl)propanoic acid Traditional Name: 3-(3,5-dibromo-4-mercapto-phenyl)propionic acid Formula: C9H8Br2O2S MolecularWeight: 340.03162

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)S)Br)CCC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1Br)S)Br)CCC(=O)O

InChI

InChI=1S/C9H8Br2O2S/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h3-4,14H,1-2H2,(H,12,13)