[4-(4-butylphenyl)-2-chloranyl-phenyl] 4-pentylbenzoate

Systemtic Name: [4-(4-butylphenyl)-2-chloranyl-phenyl] 4-pentylbenzoate Openeye Name: [4-(4-butylphenyl)-2-chloro-phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [4-(4-butylphenyl)-2-chlorophenyl] ester IUPAC Name: [4-(4-butylphenyl)-2-chlorophenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-(4-butylphenyl)-2-chloro-phenyl] ester Formula: C28H31ClO2 MolecularWeight: 434.99754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C3=CC=C(C=C3)CCCC)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C3=CC=C(C=C3)CCCC)Cl

InChI

InChI=1S/C28H31ClO2/c1-3-5-7-9-22-12-16-24(17-13-22)28(30)31-27-19-18-25(20-26(27)29)23-14-10-21(11-15-23)8-6-4-2/h10-20H,3-9H2,1-2H3