ethyl 2-[4-(1-bromanylheptyl)phenyl]benzoate

Systemtic Name: ethyl 2-[4-(1-bromanylheptyl)phenyl]benzoate Openeye Name: ethyl 2-[4-(1-bromoheptyl)phenyl]benzoate CAS Name: 2-[4-(1-bromoheptyl)phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-(1-bromoheptyl)phenyl]benzoate Traditional Name: 2-[4-(1-bromoheptyl)phenyl]benzoic acid ethyl ester Formula: C22H27BrO2 MolecularWeight: 403.35258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=C(C=C1)C2=CC=CC=C2C(=O)OCC)Br

Isomeric SMILES

CCCCCCC(C1=CC=C(C=C1)C2=CC=CC=C2C(=O)OCC)Br

InChI

InChI=1S/C22H27BrO2/c1-3-5-6-7-12-21(23)18-15-13-17(14-16-18)19-10-8-9-11-20(19)22(24)25-4-2/h8-11,13-16,21H,3-7,12H2,1-2H3