methyl 2-[3-(4-bromanylphenoxy)phenyl]-2-hexylsulfanyl-ethanoate

Systemtic Name: methyl 2-[3-(4-bromanylphenoxy)phenyl]-2-hexylsulfanyl-ethanoate Openeye Name: methyl 2-[3-(4-bromophenoxy)phenyl]-2-hexylsulfanyl-acetate CAS Name: 2-[3-(4-bromophenoxy)phenyl]-2-(hexylthio)acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromophenoxy)phenyl]-2-hexylsulfanylacetate Traditional Name: 2-[3-(4-bromophenoxy)phenyl]-2-(hexylthio)acetic acid methyl ester Formula: C21H25BrO3S MolecularWeight: 437.3904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrO3S/c1-3-4-5-6-14-26-20(21(23)24-2)16-8-7-9-19(15-16)25-18-12-10-17(22)11-13-18/h7-13,15,20H,3-6,14H2,1-2H3