bromanyl 4-octoxy-2-(2-pentyl-5-phenyl-phenyl)benzoate

Systemtic Name: bromanyl 4-octoxy-2-(2-pentyl-5-phenyl-phenyl)benzoate Openeye Name: bromo 4-octoxy-2-(2-pentyl-5-phenyl-phenyl)benzoate CAS Name: 4-octoxy-2-(2-pentyl-5-phenylphenyl)benzoic acid bromo ester IUPAC Name: bromo 4-octoxy-2-(2-pentyl-5-phenylphenyl)benzoate Traditional Name: 2-(2-amyl-5-phenyl-phenyl)-4-octoxy-benzoic acid bromo ester Formula: C32H39BrO3 MolecularWeight: 551.55426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C(=O)OBr)C2=C(C=CC(=C2)C3=CC=CC=C3)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C(=O)OBr)C2=C(C=CC(=C2)C3=CC=CC=C3)CCCCC

InChI

InChI=1S/C32H39BrO3/c1-3-5-7-8-9-14-22-35-28-20-21-29(32(34)36-33)31(24-28)30-23-27(25-15-12-10-13-16-25)19-18-26(30)17-11-6-4-2/h10,12-13,15-16,18-21,23-24H,3-9,11,14,17,22H2,1-2H3