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

Systemtic Name: [4-(4-pentoxyphenyl)phenyl] 3-fluoranyl-4-heptyl-benzoate Openeye Name: [4-(4-pentoxyphenyl)phenyl] 3-fluoro-4-heptyl-benzoate CAS Name: 3-fluoro-4-heptylbenzoic acid [4-(4-pentoxyphenyl)phenyl] ester IUPAC Name: [4-(4-pentoxyphenyl)phenyl] 3-fluoro-4-heptylbenzoate Traditional Name: 3-fluoro-4-heptyl-benzoic acid [4-(4-amoxyphenyl)phenyl] ester Formula: C31H37FO3 MolecularWeight: 476.622083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC)F

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC)F

InChI

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