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

Systemtic Name: [4-(4-hexylphenyl)phenyl] 3-fluoranyl-4-pentoxy-benzoate Openeye Name: [4-(4-hexylphenyl)phenyl] 3-fluoro-4-pentoxy-benzoate CAS Name: 3-fluoro-4-pentoxybenzoic acid [4-(4-hexylphenyl)phenyl] ester IUPAC Name: [4-(4-hexylphenyl)phenyl] 3-fluoro-4-pentoxybenzoate Traditional Name: 4-amoxy-3-fluoro-benzoic acid [4-(4-hexylphenyl)phenyl] ester Formula: C30H35FO3 MolecularWeight: 462.595503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCC)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCC)F

InChI

InChI=1S/C30H35FO3/c1-3-5-7-8-10-23-11-13-24(14-12-23)25-15-18-27(19-16-25)34-30(32)26-17-20-29(28(31)22-26)33-21-9-6-4-2/h11-20,22H,3-10,21H2,1-2H3