(4-heptoxyphenyl) 4-(3-fluoranyl-4-hexoxy-phenyl)benzoate

Systemtic Name: (4-heptoxyphenyl) 4-(3-fluoranyl-4-hexoxy-phenyl)benzoate Openeye Name: (4-heptoxyphenyl) 4-(3-fluoro-4-hexoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-hexoxyphenyl)benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 4-(3-fluoro-4-hexoxyphenyl)benzoate Traditional Name: 4-(3-fluoro-4-hexoxy-phenyl)benzoic acid (4-heptoxyphenyl) ester Formula: C32H39FO4 MolecularWeight: 506.648063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCC)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCCCCCC)F

InChI

InChI=1S/C32H39FO4/c1-3-5-7-9-11-22-35-28-17-19-29(20-18-28)37-32(34)26-14-12-25(13-15-26)27-16-21-31(30(33)24-27)36-23-10-8-6-4-2/h12-21,24H,3-11,22-23H2,1-2H3