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

Systemtic Name: 2-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-bromophenyl)-2-furyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-(4-bromophenyl)-2-furanyl]methylthio]acetic acid IUPAC Name: 2-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-(4-bromophenyl)-2-furyl]methylthio]acetic acid Formula: C13H11BrO3S MolecularWeight: 327.19364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)CSCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)CSCC(=O)O)Br

InChI

InChI=1S/C13H11BrO3S/c14-10-3-1-9(2-4-10)12-6-5-11(17-12)7-18-8-13(15)16/h1-6H,7-8H2,(H,15,16)