4-dodecoxy-3-fluoranyl-benzoic acid; (4-phenylphenyl) 3-methylpentanoate

Systemtic Name: 4-dodecoxy-3-fluoranyl-benzoic acid; (4-phenylphenyl) 3-methylpentanoate Openeye Name: 4-dodecoxy-3-fluoro-benzoic acid; (4-phenylphenyl) 3-methylpentanoate CAS Name: 4-dodecoxy-3-fluorobenzoic acid; 3-methylpentanoic acid (4-phenylphenyl) ester IUPAC Name: 4-dodecoxy-3-fluorobenzoic acid; (4-phenylphenyl) 3-methylpentanoate Traditional Name: 3-fluoro-4-lauryloxy-benzoic acid; 3-methylvaleric acid (4-phenylphenyl) ester Formula: C37H49FO5 MolecularWeight: 592.780363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29FO3.C18H20O2/c1-2-3-4-5-6-7-8-9-10-11-14-23-18-13-12-16(19(21)22)15-17(18)20;1-3-14(2)13-18(19)20-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h12-13,15H,2-11,14H2,1H3,(H,21,22);4-12,14H,3,13H2,1-2H3