(3E)-3-(dimethylcarbamoylimino)-1,1-dimethyl-urea; ethanoic acid

Systemtic Name: (3E)-3-(dimethylcarbamoylimino)-1,1-dimethyl-urea; ethanoic acid Openeye Name: acetic acid; (3E)-3-(dimethylcarbamoylimino)-1,1-dimethyl-urea CAS Name: acetic acid; (3E)-3-[dimethylamino(oxo)methyl]imino-1,1-dimethylurea IUPAC Name: acetic acid; (3E)-3-(dimethylcarbamoylimino)-1,1-dimethylurea Traditional Name: acetic acid; (3E)-3-(dimethylcarbamoylimino)-1,1-dimethyl-urea Formula: C18H36N4O14 MolecularWeight: 532.49684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CN(C)C(=O)N=NC(=O)N(C)C

Isomeric SMILES

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CN(C)C(=O)/N=N/C(=O)N(C)C

InChI

InChI=1S/C6H12N4O2.6C2H4O2/c1-9(2)5(11)7-8-6(12)10(3)4;6*1-2(3)4/h1-4H3;6*1H3,(H,3,4)/b8-7+;;;;;;