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

Systemtic Name: (4-pentylphenyl) 4-(3-chloranyl-4-pentoxy-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-chloro-4-pentoxy-phenyl)benzoate CAS Name: 4-(3-chloro-4-pentoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-chloro-4-pentoxyphenyl)benzoate Traditional Name: 4-(4-amoxy-3-chloro-phenyl)benzoic acid (4-amylphenyl) ester Formula: C29H33ClO3 MolecularWeight: 465.02352

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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)OCCCCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H33ClO3/c1-3-5-7-9-22-10-17-26(18-11-22)33-29(31)24-14-12-23(13-15-24)25-16-19-28(27(30)21-25)32-20-8-6-4-2/h10-19,21H,3-9,20H2,1-2H3