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

Systemtic Name: (4-pentylphenyl) 4-(3-chloranyl-4-octoxy-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-chloro-4-octoxy-phenyl)benzoate CAS Name: 4-(3-chloro-4-octoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-chloro-4-octoxyphenyl)benzoate Traditional Name: 4-(3-chloro-4-octoxy-phenyl)benzoic acid (4-amylphenyl) ester Formula: C32H39ClO3 MolecularWeight: 507.10326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

InChI

InChI=1S/C32H39ClO3/c1-3-5-7-8-9-11-23-35-31-22-19-28(24-30(31)33)26-15-17-27(18-16-26)32(34)36-29-20-13-25(14-21-29)12-10-6-4-2/h13-22,24H,3-12,23H2,1-2H3