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

Systemtic Name: (4-pentylphenyl) 4-(3-chloranyl-4-nonoxy-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-chloro-4-nonoxy-phenyl)benzoate CAS Name: 4-(3-chloro-4-nonoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-chloro-4-nonoxyphenyl)benzoate Traditional Name: 4-(3-chloro-4-nonoxy-phenyl)benzoic acid (4-amylphenyl) ester Formula: C33H41ClO3 MolecularWeight: 521.12984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

InChI

InChI=1S/C33H41ClO3/c1-3-5-7-8-9-10-12-24-36-32-23-20-29(25-31(32)34)27-16-18-28(19-17-27)33(35)37-30-21-14-26(15-22-30)13-11-6-4-2/h14-23,25H,3-13,24H2,1-2H3