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

Systemtic Name: (4-heptoxyphenyl) 4-(3-fluoranyl-4-octoxy-phenyl)benzoate Openeye Name: (4-heptoxyphenyl) 4-(3-fluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-octoxyphenyl)benzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 4-(3-fluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(3-fluoro-4-octoxy-phenyl)benzoic acid (4-heptoxyphenyl) ester Formula: C34H43FO4 MolecularWeight: 534.701223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCC)F

InChI

InChI=1S/C34H43FO4/c1-3-5-7-9-11-13-25-38-33-23-18-29(26-32(33)35)27-14-16-28(17-15-27)34(36)39-31-21-19-30(20-22-31)37-24-12-10-8-6-4-2/h14-23,26H,3-13,24-25H2,1-2H3