2-[3-(4-bromanylphenoxy)phenyl]-2-hexylsulfanyl-ethanoic acid

Systemtic Name: 2-[3-(4-bromanylphenoxy)phenyl]-2-hexylsulfanyl-ethanoic acid Openeye Name: 2-[3-(4-bromophenoxy)phenyl]-2-hexylsulfanyl-acetic acid CAS Name: 2-[3-(4-bromophenoxy)phenyl]-2-(hexylthio)acetic acid IUPAC Name: 2-[3-(4-bromophenoxy)phenyl]-2-hexylsulfanylacetic acid Traditional Name: 2-[3-(4-bromophenoxy)phenyl]-2-(hexylthio)acetic acid Formula: C20H23BrO3S MolecularWeight: 423.36382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(C1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCCCCCSC(C1=CC(=CC=C1)OC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C20H23BrO3S/c1-2-3-4-5-13-25-19(20(22)23)15-7-6-8-18(14-15)24-17-11-9-16(21)10-12-17/h6-12,14,19H,2-5,13H2,1H3,(H,22,23)