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

Systemtic Name: [4-(4-butylphenyl)-2-chloranyl-phenyl] 4-butylbenzoate Openeye Name: [4-(4-butylphenyl)-2-chloro-phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-(4-butylphenyl)-2-chlorophenyl] ester IUPAC Name: [4-(4-butylphenyl)-2-chlorophenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-(4-butylphenyl)-2-chloro-phenyl] ester Formula: C27H29ClO2 MolecularWeight: 420.97096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)Cl

InChI

InChI=1S/C27H29ClO2/c1-3-5-7-20-9-13-22(14-10-20)24-17-18-26(25(28)19-24)30-27(29)23-15-11-21(12-16-23)8-6-4-2/h9-19H,3-8H2,1-2H3