[4-(4-hexoxyphenyl)phenyl] 3-fluoranyl-4-pentoxy-benzoate

Systemtic Name: [4-(4-hexoxyphenyl)phenyl] 3-fluoranyl-4-pentoxy-benzoate Openeye Name: [4-(4-hexoxyphenyl)phenyl] 3-fluoro-4-pentoxy-benzoate CAS Name: 3-fluoro-4-pentoxybenzoic acid [4-(4-hexoxyphenyl)phenyl] ester IUPAC Name: [4-(4-hexoxyphenyl)phenyl] 3-fluoro-4-pentoxybenzoate Traditional Name: 4-amoxy-3-fluoro-benzoic acid [4-(4-hexoxyphenyl)phenyl] ester Formula: C30H35FO4 MolecularWeight: 478.594903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCC)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCC)F

InChI

InChI=1S/C30H35FO4/c1-3-5-7-9-20-33-26-15-10-23(11-16-26)24-12-17-27(18-13-24)35-30(32)25-14-19-29(28(31)22-25)34-21-8-6-4-2/h10-19,22H,3-9,20-21H2,1-2H3