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

Systemtic Name: [4-(4-pentoxyphenyl)phenyl] 3-fluoranyl-4-heptoxy-benzoate Openeye Name: [4-(4-pentoxyphenyl)phenyl] 3-fluoro-4-heptoxy-benzoate CAS Name: 3-fluoro-4-heptoxybenzoic acid [4-(4-pentoxyphenyl)phenyl] ester IUPAC Name: [4-(4-pentoxyphenyl)phenyl] 3-fluoro-4-heptoxybenzoate Traditional Name: 3-fluoro-4-heptoxy-benzoic acid [4-(4-amoxyphenyl)phenyl] ester Formula: C31H37FO4 MolecularWeight: 492.621483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC)F

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCC)F

InChI

InChI=1S/C31H37FO4/c1-3-5-7-8-10-22-35-30-20-15-26(23-29(30)32)31(33)36-28-18-13-25(14-19-28)24-11-16-27(17-12-24)34-21-9-6-4-2/h11-20,23H,3-10,21-22H2,1-2H3