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

Systemtic Name: [2-chloranyl-4-(4-pentylphenyl)phenyl] 4-pentylbenzoate Openeye Name: [2-chloro-4-(4-pentylphenyl)phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [2-chloro-4-(4-pentylphenyl)phenyl] ester IUPAC Name: [2-chloro-4-(4-pentylphenyl)phenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-(4-amylphenyl)-2-chloro-phenyl] ester Formula: C29H33ClO2 MolecularWeight: 449.02412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCC)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCCC)Cl

InChI

InChI=1S/C29H33ClO2/c1-3-5-7-9-22-11-15-24(16-12-22)26-19-20-28(27(30)21-26)32-29(31)25-17-13-23(14-18-25)10-8-6-4-2/h11-21H,3-10H2,1-2H3