(Z,5S)-5-[2,2-bis(chloranyl)ethanoylamino]-6-methoxy-2-oxidanyl-6-oxidanylidene-hex-1-ene-1-diazonium

Systemtic Name: (Z,5S)-5-[2,2-bis(chloranyl)ethanoylamino]-6-methoxy-2-oxidanyl-6-oxidanylidene-hex-1-ene-1-diazonium Openeye Name: (Z,5S)-5-[(2,2-dichloroacetyl)amino]-2-hydroxy-6-methoxy-6-oxo-hex-1-ene-1-diazonium CAS Name: (Z,5S)-5-[(2,2-dichloro-1-oxoethyl)amino]-2-hydroxy-6-methoxy-6-oxo-1-hexene-1-diazonium IUPAC Name: (Z,5S)-5-[(2,2-dichloroacetyl)amino]-2-hydroxy-6-methoxy-6-oxohex-1-ene-1-diazonium Traditional Name: (Z,5S)-5-[(2,2-dichloroacetyl)amino]-2-hydroxy-6-keto-6-methoxy-hex-1-ene-1-diazonium Formula: C9H12Cl2N3O4+ MolecularWeight: 297.11528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=C[N+]#N)O)NC(=O)C(Cl)Cl

Isomeric SMILES

COC(=O)[C@H](CC/C(=C/[N+]#N)/O)NC(=O)C(Cl)Cl

InChI

InChI=1S/C9H11Cl2N3O4/c1-18-9(17)6(14-8(16)7(10)11)3-2-5(15)4-13-12/h4,6-7H,2-3H2,1H3,(H-,14,15,16)/p+1/b5-4-/t6-/m0/s1