4-dodecoxy-3-fluoranyl-benzoic acid; (4-phenylphenyl) 2-methylbutanoate

Systemtic Name: 4-dodecoxy-3-fluoranyl-benzoic acid; (4-phenylphenyl) 2-methylbutanoate Openeye Name: 4-dodecoxy-3-fluoro-benzoic acid; (4-phenylphenyl) 2-methylbutanoate CAS Name: 4-dodecoxy-3-fluorobenzoic acid; 2-methylbutanoic acid (4-phenylphenyl) ester IUPAC Name: 4-dodecoxy-3-fluorobenzoic acid; (4-phenylphenyl) 2-methylbutanoate Traditional Name: 3-fluoro-4-lauryloxy-benzoic acid; 2-methylbutyric acid (4-phenylphenyl) ester Formula: C36H47FO5 MolecularWeight: 578.753783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)O)F.CCC(C)C(=O)OC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)O)F.CCC(C)C(=O)OC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H29FO3.C17H18O2/c1-2-3-4-5-6-7-8-9-10-11-14-23-18-13-12-16(19(21)22)15-17(18)20;1-3-13(2)17(18)19-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h12-13,15H,2-11,14H2,1H3,(H,21,22);4-13H,3H2,1-2H3