2-[4-[2-(4-bromanylphenoxy)ethylsulfanyl]-2,6-dimethyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(4-bromanylphenoxy)ethylsulfanyl]-2,6-dimethyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(4-bromophenoxy)ethylsulfanyl]-2,6-dimethyl-phenoxy]acetic acid CAS Name: 2-[4-[2-(4-bromophenoxy)ethylthio]-2,6-dimethylphenoxy]acetic acid IUPAC Name: 2-[4-[2-(4-bromophenoxy)ethylsulfanyl]-2,6-dimethylphenoxy]acetic acid Traditional Name: 2-[4-[2-(4-bromophenoxy)ethylthio]-2,6-dimethyl-phenoxy]acetic acid Formula: C18H19BrO4S MolecularWeight: 411.31006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)O)C)SCCOC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)O)C)SCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H19BrO4S/c1-12-9-16(10-13(2)18(12)23-11-17(20)21)24-8-7-22-15-5-3-14(19)4-6-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,21)