(4-cyanophenyl) 3-chloranyl-4-(4-pentylphenyl)carbonyloxy-benzoate

Systemtic Name: (4-cyanophenyl) 3-chloranyl-4-(4-pentylphenyl)carbonyloxy-benzoate Openeye Name: (4-cyanophenyl) 3-chloro-4-(4-pentylbenzoyl)oxy-benzoate CAS Name: 3-chloro-4-[oxo-(4-pentylphenyl)methoxy]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-chloro-4-(4-pentylbenzoyl)oxybenzoate Traditional Name: 4-(4-amylbenzoyl)oxy-3-chloro-benzoic acid (4-cyanophenyl) ester Formula: C26H22ClNO4 MolecularWeight: 447.91018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C26H22ClNO4/c1-2-3-4-5-18-6-10-20(11-7-18)25(29)32-24-15-12-21(16-23(24)27)26(30)31-22-13-8-19(17-28)9-14-22/h6-16H,2-5H2,1H3