2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-fluoranyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-fluoro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]-2-fluorophenyl]thio]acetic acid IUPAC Name: 2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]-2-fluorophenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(E)-3-(4-bromophenyl)acryloyl]-2-fluoro-phenyl]thio]acetic acid Formula: C17H12BrFO3S MolecularWeight: 395.242783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC(=C(C=C2)SCC(=O)O)F)Br

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=CC(=C(C=C2)SCC(=O)O)F)Br

InChI

InChI=1S/C17H12BrFO3S/c18-13-5-1-11(2-6-13)3-7-15(20)12-4-8-16(14(19)9-12)23-10-17(21)22/h1-9H,10H2,(H,21,22)/b7-3+