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

Systemtic Name: (4-pentylphenyl) 4-(3-chloranyl-4-nonyl-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-chloro-4-nonyl-phenyl)benzoate CAS Name: 4-(3-chloro-4-nonylphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-chloro-4-nonylphenyl)benzoate Traditional Name: 4-(3-chloro-4-nonyl-phenyl)benzoic acid (4-amylphenyl) ester Formula: C33H41ClO2 MolecularWeight: 505.13044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

InChI

InChI=1S/C33H41ClO2/c1-3-5-7-8-9-10-12-14-28-19-22-30(25-32(28)34)27-17-20-29(21-18-27)33(35)36-31-23-15-26(16-24-31)13-11-6-4-2/h15-25H,3-14H2,1-2H3