2-[(4-bromophenyl)sulfanylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-bromophenyl)sulfanylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(4-bromophenyl)sulfanyl-propanoic acid CAS Name: 2-[[(4-bromophenyl)thio]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(4-bromophenyl)sulfanylpropanoic acid Traditional Name: 2-benzyl-3-[(4-bromophenyl)thio]propionic acid Formula: C16H15BrO2S MolecularWeight: 351.2581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H15BrO2S/c17-14-6-8-15(9-7-14)20-11-13(16(18)19)10-12-4-2-1-3-5-12/h1-9,13H,10-11H2,(H,18,19)