[4-(4-heptylphenyl)phenyl] 3-fluoranyl-4-pentoxy-benzoate

Systemtic Name: [4-(4-heptylphenyl)phenyl] 3-fluoranyl-4-pentoxy-benzoate Openeye Name: [4-(4-heptylphenyl)phenyl] 3-fluoro-4-pentoxy-benzoate CAS Name: 3-fluoro-4-pentoxybenzoic acid [4-(4-heptylphenyl)phenyl] ester IUPAC Name: [4-(4-heptylphenyl)phenyl] 3-fluoro-4-pentoxybenzoate Traditional Name: 4-amoxy-3-fluoro-benzoic acid [4-(4-heptylphenyl)phenyl] ester Formula: C31H37FO3 MolecularWeight: 476.622083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCC)F

InChI

InChI=1S/C31H37FO3/c1-3-5-7-8-9-11-24-12-14-25(15-13-24)26-16-19-28(20-17-26)35-31(33)27-18-21-30(29(32)23-27)34-22-10-6-4-2/h12-21,23H,3-11,22H2,1-2H3