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

Systemtic Name: [4-(4-pentylphenyl)phenyl] 4-pentylbenzoate Openeye Name: [4-(4-pentylphenyl)phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [4-(4-pentylphenyl)phenyl] ester IUPAC Name: [4-(4-pentylphenyl)phenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-(4-amylphenyl)phenyl] ester Formula: C29H34O2 MolecularWeight: 414.57906

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H34O2/c1-3-5-7-9-23-11-15-25(16-12-23)26-19-21-28(22-20-26)31-29(30)27-17-13-24(14-18-27)10-8-6-4-2/h11-22H,3-10H2,1-2H3