(4-cyanophenyl) 4-(3-bromanyl-4-heptoxy-phenyl)benzoate

Systemtic Name: (4-cyanophenyl) 4-(3-bromanyl-4-heptoxy-phenyl)benzoate Openeye Name: (4-cyanophenyl) 4-(3-bromo-4-heptoxy-phenyl)benzoate CAS Name: 4-(3-bromo-4-heptoxyphenyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(3-bromo-4-heptoxyphenyl)benzoate Traditional Name: 4-(3-bromo-4-heptoxy-phenyl)benzoic acid (4-cyanophenyl) ester Formula: C27H26BrNO3 MolecularWeight: 492.40424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)Br

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C27H26BrNO3/c1-2-3-4-5-6-17-31-26-16-13-23(18-25(26)28)21-9-11-22(12-10-21)27(30)32-24-14-7-20(19-29)8-15-24/h7-16,18H,2-6,17H2,1H3