2,2-bis(chloranyl)ethanoate; [(6E)-6-hydroxyimino-5-oxidanylidene-hexyl]-methyl-(phenylmethyl)azanium

Systemtic Name: 2,2-bis(chloranyl)ethanoate; [(6E)-6-hydroxyimino-5-oxidanylidene-hexyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(6E)-6-hydroxyimino-5-oxo-hexyl]-methyl-ammonium; 2,2-dichloroacetate CAS Name: 2,2-dichloroacetate; [(6E)-6-hydroxyimino-5-oxohexyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(6E)-6-hydroxyimino-5-oxohexyl]-methylazanium; 2,2-dichloroacetate Traditional Name: benzyl-[(6E)-6-hydroximino-5-keto-hexyl]-methyl-ammonium; 2,2-dichloroacetate Formula: C16H22Cl2N2O4 MolecularWeight: 377.26288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCC(=O)C=NO)CC1=CC=CC=C1.C(C(=O)[O-])(Cl)Cl

Isomeric SMILES

C[NH+](CCCCC(=O)/C=N/O)CC1=CC=CC=C1.C(C(=O)[O-])(Cl)Cl

InChI

InChI=1S/C14H20N2O2.C2H2Cl2O2/c1-16(12-13-7-3-2-4-8-13)10-6-5-9-14(17)11-15-18;3-1(4)2(5)6/h2-4,7-8,11,18H,5-6,9-10,12H2,1H3;1H,(H,5,6)/b15-11+;