[2-chloranyl-4-mercurio-3,6-dimethoxy-5-(3-oxidanylidenebutanoylamino)phenyl]mercury; ethanoic acid

Systemtic Name: [2-chloranyl-4-mercurio-3,6-dimethoxy-5-(3-oxidanylidenebutanoylamino)phenyl]mercury; ethanoic acid Openeye Name: acetic acid; [2-chloro-4-mercurio-3,6-dimethoxy-5-(3-oxobutanoylamino)phenyl]mercury CAS Name: acetic acid; [2-chloro-5-(1,3-dioxobutylamino)-4-mercurio-3,6-dimethoxyphenyl]mercury IUPAC Name: acetic acid; [2-chloro-4-mercurio-3,6-dimethoxy-5-(3-oxobutanoylamino)phenyl]mercury Traditional Name: acetic acid; [2-(acetoacetylamino)-5-chloro-4-mercurio-3,6-dimethoxy-phenyl]mercury Formula: C16H20ClHg2NO8 MolecularWeight: 790.9649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C(C(=C(C(=C1[Hg])OC)Cl)[Hg])OC.CC(=O)O.CC(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=C(C(=C(C(=C1[Hg])OC)Cl)[Hg])OC.CC(=O)O.CC(=O)O

InChI

InChI=1S/C12H12ClNO4.2C2H4O2.2Hg/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3;2*1-2(3)4;;/h4H2,1-3H3,(H,14,16);2*1H3,(H,3,4);;