[1,1,1-tris(chloranyl)-4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butan-2-ylidene]azanium

Systemtic Name: [1,1,1-tris(chloranyl)-4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butan-2-ylidene]azanium Openeye Name: [3-ethoxy-2-ethoxycarbonyl-3-oxo-1-(trichloromethyl)propylidene]ammonium CAS Name: (1,1,1-trichloro-4-ethoxy-3-ethoxycarbonyl-4-oxobutan-2-ylidene)ammonium IUPAC Name: (1,1,1-trichloro-4-ethoxy-3-ethoxycarbonyl-4-oxobutan-2-ylidene)azanium Traditional Name: [2-carbethoxy-3-ethoxy-3-keto-1-(trichloromethyl)propylidene]ammonium Formula: C9H13Cl3NO4+ MolecularWeight: 305.56282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=[NH2+])C(Cl)(Cl)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=[NH2+])C(Cl)(Cl)Cl)C(=O)OCC

InChI

InChI=1S/C9H12Cl3NO4/c1-3-16-7(14)5(8(15)17-4-2)6(13)9(10,11)12/h5,13H,3-4H2,1-2H3/p+1