[3-(5-fluoranyl-2-hexyl-phenyl)-5-(3-nitro-5-nonylsulfonyl-phenyl)-4-oxidanylidene-pyridin-1-yl] ethanoate

Systemtic Name: [3-(5-fluoranyl-2-hexyl-phenyl)-5-(3-nitro-5-nonylsulfonyl-phenyl)-4-oxidanylidene-pyridin-1-yl] ethanoate Openeye Name: [3-(5-fluoro-2-hexyl-phenyl)-5-(3-nitro-5-nonylsulfonyl-phenyl)-4-oxo-1-pyridyl] acetate CAS Name: acetic acid [3-(5-fluoro-2-hexylphenyl)-5-(3-nitro-5-nonylsulfonylphenyl)-4-oxo-1-pyridinyl] ester IUPAC Name: [3-(5-fluoro-2-hexylphenyl)-5-(3-nitro-5-nonylsulfonylphenyl)-4-oxopyridin-1-yl] acetate Traditional Name: acetic acid [3-(5-fluoro-2-hexyl-phenyl)-4-keto-5-(3-nitro-5-nonylsulfonyl-phenyl)-1-pyridyl] ester Formula: C34H43FN2O7S MolecularWeight: 642.777823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCS(=O)(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN(C=C(C2=O)C3=C(C=CC(=C3)F)CCCCCC)OC(=O)C

Isomeric SMILES

CCCCCCCCCS(=O)(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN(C=C(C2=O)C3=C(C=CC(=C3)F)CCCCCC)OC(=O)C

InChI

InChI=1S/C34H43FN2O7S/c1-4-6-8-10-11-12-14-18-45(42,43)30-20-27(19-29(22-30)37(40)41)32-23-36(44-25(3)38)24-33(34(32)39)31-21-28(35)17-16-26(31)15-13-9-7-5-2/h16-17,19-24H,4-15,18H2,1-3H3