methyl 6-(5-fluoranyl-2,4-dinitro-phenoxy)-6-(4-nonylphenyl)hexanoate

Systemtic Name: methyl 6-(5-fluoranyl-2,4-dinitro-phenoxy)-6-(4-nonylphenyl)hexanoate Openeye Name: methyl 6-(5-fluoro-2,4-dinitro-phenoxy)-6-(4-nonylphenyl)hexanoate CAS Name: 6-(5-fluoro-2,4-dinitrophenoxy)-6-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-(5-fluoro-2,4-dinitrophenoxy)-6-(4-nonylphenyl)hexanoate Traditional Name: 6-(5-fluoro-2,4-dinitro-phenoxy)-6-(4-nonylphenyl)hexanoic acid methyl ester Formula: C28H37FN2O7 MolecularWeight: 532.600983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)OC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)OC)OC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C28H37FN2O7/c1-3-4-5-6-7-8-9-12-21-15-17-22(18-16-21)26(13-10-11-14-28(32)37-2)38-27-19-23(29)24(30(33)34)20-25(27)31(35)36/h15-20,26H,3-14H2,1-2H3