3-[2-(6-bromanylhexyl)phenyl]butanoate

Systemtic Name: 3-[2-(6-bromanylhexyl)phenyl]butanoate Openeye Name: 3-[2-(6-bromohexyl)phenyl]butanoate CAS Name: 3-[2-(6-bromohexyl)phenyl]butanoate IUPAC Name: 3-[2-(6-bromohexyl)phenyl]butanoate Traditional Name: 3-[2-(6-bromohexyl)phenyl]butyrate Formula: C16H22BrO2- MolecularWeight: 326.24868

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])C1=CC=CC=C1CCCCCCBr

Isomeric SMILES

CC(CC(=O)[O-])C1=CC=CC=C1CCCCCCBr

InChI

InChI=1S/C16H23BrO2/c1-13(12-16(18)19)15-10-6-5-9-14(15)8-4-2-3-7-11-17/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19)/p-1