4-octoxybenzoic acid; (4-phenylphenyl) 2-fluoranyl-2-methyl-heptanoate

Systemtic Name: 4-octoxybenzoic acid; (4-phenylphenyl) 2-fluoranyl-2-methyl-heptanoate Openeye Name: 4-octoxybenzoic acid; (4-phenylphenyl) 2-fluoro-2-methyl-heptanoate CAS Name: 2-fluoro-2-methylheptanoic acid (4-phenylphenyl) ester; 4-octoxybenzoic acid IUPAC Name: 4-octoxybenzoic acid; (4-phenylphenyl) 2-fluoro-2-methylheptanoate Traditional Name: 2-fluoro-2-methyl-enanthic acid (4-phenylphenyl) ester; 4-octoxybenzoic acid Formula: C35H45FO5 MolecularWeight: 564.727203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)O.CCCCCC(C)(C(=O)OC1=CC=C(C=C1)C2=CC=CC=C2)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)O.CCCCCC(C)(C(=O)OC1=CC=C(C=C1)C2=CC=CC=C2)F

InChI

InChI=1S/C20H23FO2.C15H22O3/c1-3-4-8-15-20(2,21)19(22)23-18-13-11-17(12-14-18)16-9-6-5-7-10-16;1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h5-7,9-14H,3-4,8,15H2,1-2H3;8-11H,2-7,12H2,1H3,(H,16,17)