bromanyl 4-heptyl-2-(3-phenylphenyl)benzoate

Systemtic Name: bromanyl 4-heptyl-2-(3-phenylphenyl)benzoate Openeye Name: bromo 4-heptyl-2-(3-phenylphenyl)benzoate CAS Name: 4-heptyl-2-(3-phenylphenyl)benzoic acid bromo ester IUPAC Name: bromo 4-heptyl-2-(3-phenylphenyl)benzoate Traditional Name: 4-heptyl-2-(3-phenylphenyl)benzoic acid bromo ester Formula: C26H27BrO2 MolecularWeight: 451.39538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)OBr)C2=CC=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)OBr)C2=CC=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H27BrO2/c1-2-3-4-5-7-11-20-16-17-24(26(28)29-27)25(18-20)23-15-10-14-22(19-23)21-12-8-6-9-13-21/h6,8-10,12-19H,2-5,7,11H2,1H3