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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)Cl

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCC)Cl

InChI

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