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

Systemtic Name: (4-pentylphenyl) 4-(3-chloranyl-4-hexyl-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-chloro-4-hexyl-phenyl)benzoate CAS Name: 4-(3-chloro-4-hexylphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-chloro-4-hexylphenyl)benzoate Traditional Name: 4-(3-chloro-4-hexyl-phenyl)benzoic acid (4-amylphenyl) ester Formula: C30H35ClO2 MolecularWeight: 463.0507

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

InChI

InChI=1S/C30H35ClO2/c1-3-5-7-9-11-25-16-19-27(22-29(25)31)24-14-17-26(18-15-24)30(32)33-28-20-12-23(13-21-28)10-8-6-4-2/h12-22H,3-11H2,1-2H3