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

Systemtic Name: (4-heptoxyphenyl) 4-(3-fluoranyl-4-heptoxy-phenyl)benzoate Openeye Name: (4-heptoxyphenyl) 4-(3-fluoro-4-heptoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-heptoxyphenyl)benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 4-(3-fluoro-4-heptoxyphenyl)benzoate Traditional Name: 4-(3-fluoro-4-heptoxy-phenyl)benzoic acid (4-heptoxyphenyl) ester Formula: C33H41FO4 MolecularWeight: 520.674643

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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)OCCCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C33H41FO4/c1-3-5-7-9-11-23-36-29-18-20-30(21-19-29)38-33(35)27-15-13-26(14-16-27)28-17-22-32(31(34)25-28)37-24-12-10-8-6-4-2/h13-22,25H,3-12,23-24H2,1-2H3