[2-(6-bromanylhexylsulfanyl)phenyl] ethanoate

Systemtic Name: [2-(6-bromanylhexylsulfanyl)phenyl] ethanoate Openeye Name: [2-(6-bromohexylsulfanyl)phenyl] acetate CAS Name: acetic acid [2-(6-bromohexylthio)phenyl] ester IUPAC Name: [2-(6-bromohexylsulfanyl)phenyl] acetate Traditional Name: acetic acid [2-(6-bromohexylthio)phenyl] ester Formula: C14H19BrO2S MolecularWeight: 331.26846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1SCCCCCCBr

Isomeric SMILES

CC(=O)OC1=CC=CC=C1SCCCCCCBr

InChI

InChI=1S/C14H19BrO2S/c1-12(16)17-13-8-4-5-9-14(13)18-11-7-3-2-6-10-15/h4-5,8-9H,2-3,6-7,10-11H2,1H3