(4-pentylphenyl) 4-(3-chloranyl-4-pentyl-phenyl)benzoate

Systemtic Name: (4-pentylphenyl) 4-(3-chloranyl-4-pentyl-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-chloro-4-pentyl-phenyl)benzoate CAS Name: 4-(3-chloro-4-pentylphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-chloro-4-pentylphenyl)benzoate Traditional Name: 4-(4-amyl-3-chloro-phenyl)benzoic acid (4-amylphenyl) ester Formula: C29H33ClO2 MolecularWeight: 449.02412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCC)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)CCCCC)Cl

InChI

InChI=1S/C29H33ClO2/c1-3-5-7-9-22-11-19-27(20-12-22)32-29(31)25-16-13-23(14-17-25)26-18-15-24(28(30)21-26)10-8-6-4-2/h11-21H,3-10H2,1-2H3