ethyl N-ethyl-2-[(4-methyl-2,6-dinitro-phenyl)amino]propanimidothioate; fluoranylboronic acid

Systemtic Name: ethyl N-ethyl-2-[(4-methyl-2,6-dinitro-phenyl)amino]propanimidothioate; fluoranylboronic acid Openeye Name: ethyl N-ethyl-2-(4-methyl-2,6-dinitro-anilino)propanimidothioate; fluoroboronic acid CAS Name: N-ethyl-2-(4-methyl-2,6-dinitroanilino)propanimidothioic acid ethyl ester; fluoroboronic acid IUPAC Name: ethyl N-ethyl-2-(4-methyl-2,6-dinitroanilino)propanimidothioate; fluoroboronic acid Traditional Name: N-ethyl-2-(4-methyl-2,6-dinitro-anilino)thiopropionimidic acid ethyl ester; fluoroboronic acid Formula: C14H28B4F4N4O12S MolecularWeight: 595.694333

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Descriptors Computed from Structure

Canonical SMILES:

B(O)(O)F.B(O)(O)F.B(O)(O)F.B(O)(O)F.CCN=C(C(C)NC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-])SCC

Isomeric SMILES

B(O)(O)F.B(O)(O)F.B(O)(O)F.B(O)(O)F.CCN=C(C(C)NC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-])SCC

InChI

InChI=1S/C14H20N4O4S.4BFH2O2/c1-5-15-14(23-6-2)10(4)16-13-11(17(19)20)7-9(3)8-12(13)18(21)22;4*2-1(3)4/h7-8,10,16H,5-6H2,1-4H3;4*3-4H