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

Systemtic Name: bromanyl 4-octoxy-2-(3-phenylphenyl)benzoate Openeye Name: bromo 4-octoxy-2-(3-phenylphenyl)benzoate CAS Name: 4-octoxy-2-(3-phenylphenyl)benzoic acid bromo ester IUPAC Name: bromo 4-octoxy-2-(3-phenylphenyl)benzoate Traditional Name: 4-octoxy-2-(3-phenylphenyl)benzoic acid bromo ester Formula: C27H29BrO3 MolecularWeight: 481.42136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29BrO3/c1-2-3-4-5-6-10-18-30-24-16-17-25(27(29)31-28)26(20-24)23-15-11-14-22(19-23)21-12-8-7-9-13-21/h7-9,11-17,19-20H,2-6,10,18H2,1H3