2-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[5-(4-bromophenyl)-2-furyl]methylsulfanyl]propanoic acid CAS Name: 2-[[5-(4-bromophenyl)-2-furanyl]methylthio]propanoic acid IUPAC Name: 2-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[[5-(4-bromophenyl)-2-furyl]methylthio]propionic acid Formula: C14H13BrO3S MolecularWeight: 341.22022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC=C(O1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)O)SCC1=CC=C(O1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H13BrO3S/c1-9(14(16)17)19-8-12-6-7-13(18-12)10-2-4-11(15)5-3-10/h2-7,9H,8H2,1H3,(H,16,17)