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

Systemtic Name: (4-pentylphenyl) 4-(3-chloranyl-4-hexoxy-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-chloro-4-hexoxy-phenyl)benzoate CAS Name: 4-(3-chloro-4-hexoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-chloro-4-hexoxyphenyl)benzoate Traditional Name: 4-(3-chloro-4-hexoxy-phenyl)benzoic acid (4-amylphenyl) ester Formula: C30H35ClO3 MolecularWeight: 479.0501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)Cl

InChI

InChI=1S/C30H35ClO3/c1-3-5-7-9-21-33-29-20-17-26(22-28(29)31)24-13-15-25(16-14-24)30(32)34-27-18-11-23(12-19-27)10-8-6-4-2/h11-20,22H,3-10,21H2,1-2H3