2-[3-(4-bromophenyl)-1-(3-chlorophenyl)-3-oxidanylidene-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-(4-bromophenyl)-1-(3-chlorophenyl)-3-oxidanylidene-propyl]sulfanylethanoic acid Openeye Name: 2-[3-(4-bromophenyl)-1-(3-chlorophenyl)-3-oxo-propyl]sulfanylacetic acid CAS Name: 2-[[3-(4-bromophenyl)-1-(3-chlorophenyl)-3-oxopropyl]thio]acetic acid IUPAC Name: 2-[3-(4-bromophenyl)-1-(3-chlorophenyl)-3-oxopropyl]sulfanylacetic acid Traditional Name: 2-[[3-(4-bromophenyl)-1-(3-chlorophenyl)-3-keto-propyl]thio]acetic acid Formula: C17H14BrClO3S MolecularWeight: 413.71326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(CC(=O)C2=CC=C(C=C2)Br)SCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(CC(=O)C2=CC=C(C=C2)Br)SCC(=O)O

InChI

InChI=1S/C17H14BrClO3S/c18-13-6-4-11(5-7-13)15(20)9-16(23-10-17(21)22)12-2-1-3-14(19)8-12/h1-8,16H,9-10H2,(H,21,22)