[4-(4-pentoxyphenyl)phenyl] 3-fluoranyl-4-hexyl-benzoate

Systemtic Name: [4-(4-pentoxyphenyl)phenyl] 3-fluoranyl-4-hexyl-benzoate Openeye Name: [4-(4-pentoxyphenyl)phenyl] 3-fluoro-4-hexyl-benzoate CAS Name: 3-fluoro-4-hexylbenzoic acid [4-(4-pentoxyphenyl)phenyl] ester IUPAC Name: [4-(4-pentoxyphenyl)phenyl] 3-fluoro-4-hexylbenzoate Traditional Name: 3-fluoro-4-hexyl-benzoic acid [4-(4-amoxyphenyl)phenyl] ester Formula: C30H35FO3 MolecularWeight: 462.595503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC)F

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC)F

InChI

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