diethyl 2-[3-(3,7-dimethyloctoxy)phenyl]-5-fluoranyl-benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-[3-(3,7-dimethyloctoxy)phenyl]-5-fluoranyl-benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[3-(3,7-dimethyloctoxy)phenyl]-5-fluoro-benzene-1,4-dicarboxylate CAS Name: 2-[3-(3,7-dimethyloctoxy)phenyl]-5-fluorobenzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[3-(3,7-dimethyloctoxy)phenyl]-5-fluorobenzene-1,4-dicarboxylate Traditional Name: 2-[3-(3,7-dimethyloctoxy)phenyl]-5-fluoro-benzene-1,4-dicarboxylic acid diethyl ester Formula: C28H37FO5 MolecularWeight: 472.588783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1C2=CC(=CC=C2)OCCC(C)CCCC(C)C)C(=O)OCC)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1C2=CC(=CC=C2)OCCC(C)CCCC(C)C)C(=O)OCC)F

InChI

InChI=1S/C28H37FO5/c1-6-32-27(30)24-18-26(29)25(28(31)33-7-2)17-23(24)21-12-9-13-22(16-21)34-15-14-20(5)11-8-10-19(3)4/h9,12-13,16-20H,6-8,10-11,14-15H2,1-5H3