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

Systemtic Name: (4-pentylphenyl) 4-(3-chloranyl-4-heptoxy-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-chloro-4-heptoxy-phenyl)benzoate CAS Name: 4-(3-chloro-4-heptoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-chloro-4-heptoxyphenyl)benzoate Traditional Name: 4-(3-chloro-4-heptoxy-phenyl)benzoic acid (4-amylphenyl) ester Formula: C31H37ClO3 MolecularWeight: 493.07668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

InChI

InChI=1S/C31H37ClO3/c1-3-5-7-8-10-22-34-30-21-18-27(23-29(30)32)25-14-16-26(17-15-25)31(33)35-28-19-12-24(13-20-28)11-9-6-4-2/h12-21,23H,3-11,22H2,1-2H3