(4-pentylphenyl) 4-[3-fluoranyl-4-(6-methyloctoxy)phenyl]benzoate

Systemtic Name: (4-pentylphenyl) 4-[3-fluoranyl-4-(6-methyloctoxy)phenyl]benzoate Openeye Name: (4-pentylphenyl) 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoate CAS Name: 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoate Traditional Name: 4-[3-fluoro-4-(6-methyloctoxy)phenyl]benzoic acid (4-amylphenyl) ester Formula: C33H41FO3 MolecularWeight: 504.675243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCC(C)CC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCC(C)CC)F

InChI

InChI=1S/C33H41FO3/c1-4-6-8-12-26-13-20-30(21-14-26)37-33(35)28-17-15-27(16-18-28)29-19-22-32(31(34)24-29)36-23-10-7-9-11-25(3)5-2/h13-22,24-25H,4-12,23H2,1-3H3