5-(2-chloranyl-4-fluoranyl-phenyl)-2-[1-[(5-chloranylthiophen-2-yl)methoxyamino]pentylidene]-5-[2-(trifluoromethyl)phenyl]cyclohexane-1,3-dione

Systemtic Name: 5-(2-chloranyl-4-fluoranyl-phenyl)-2-[1-[(5-chloranylthiophen-2-yl)methoxyamino]pentylidene]-5-[2-(trifluoromethyl)phenyl]cyclohexane-1,3-dione Openeye Name: 5-(2-chloro-4-fluoro-phenyl)-2-[1-[(5-chloro-2-thienyl)methoxyamino]pentylidene]-5-[2-(trifluoromethyl)phenyl]cyclohexane-1,3-dione CAS Name: 5-(2-chloro-4-fluorophenyl)-2-[1-[(5-chloro-2-thiophenyl)methoxyamino]pentylidene]-5-[2-(trifluoromethyl)phenyl]cyclohexane-1,3-dione IUPAC Name: 5-(2-chloro-4-fluorophenyl)-2-[1-[(5-chlorothiophen-2-yl)methoxyamino]pentylidene]-5-[2-(trifluoromethyl)phenyl]cyclohexane-1,3-dione Traditional Name: 5-(2-chloro-4-fluoro-phenyl)-2-[1-[(5-chloro-2-thienyl)methoxyamino]pentylidene]-5-[2-(trifluoromethyl)phenyl]cyclohexane-1,3-quinone Formula: C29H25Cl2F4NO3S MolecularWeight: 614.478313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C1C(=O)CC(CC1=O)(C2=C(C=C(C=C2)F)Cl)C3=CC=CC=C3C(F)(F)F)NOCC4=CC=C(S4)Cl

Isomeric SMILES

CCCCC(=C1C(=O)CC(CC1=O)(C2=C(C=C(C=C2)F)Cl)C3=CC=CC=C3C(F)(F)F)NOCC4=CC=C(S4)Cl

InChI

InChI=1S/C29H25Cl2F4NO3S/c1-2-3-8-23(36-39-16-18-10-12-26(31)40-18)27-24(37)14-28(15-25(27)38,21-11-9-17(32)13-22(21)30)19-6-4-5-7-20(19)29(33,34)35/h4-7,9-13,36H,2-3,8,14-16H2,1H3