4-[2-(2-bromanyl-4-chloranyl-phenoxy)ethylsulfanyl]benzoic acid

Systemtic Name: 4-[2-(2-bromanyl-4-chloranyl-phenoxy)ethylsulfanyl]benzoic acid Openeye Name: 4-[2-(2-bromo-4-chloro-phenoxy)ethylsulfanyl]benzoic acid CAS Name: 4-[2-(2-bromo-4-chlorophenoxy)ethylthio]benzoic acid IUPAC Name: 4-[2-(2-bromo-4-chlorophenoxy)ethylsulfanyl]benzoic acid Traditional Name: 4-[2-(2-bromo-4-chloro-phenoxy)ethylthio]benzoic acid Formula: C15H12BrClO3S MolecularWeight: 387.67598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCCOC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCCOC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C15H12BrClO3S/c16-13-9-11(17)3-6-14(13)20-7-8-21-12-4-1-10(2-5-12)15(18)19/h1-6,9H,7-8H2,(H,18,19)