bismuth; 2-nitroprop-1-ene-1,1-diamine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: bismuth; 2-nitroprop-1-ene-1,1-diamine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: bismuth 2-nitroprop-1-ene-1,1-diamine citrate CAS Name: bismuth; 2-hydroxypropane-1,2,3-tricarboxylate; 2-nitro-1-propene-1,1-diamine IUPAC Name: bismuth; 2-hydroxypropane-1,2,3-tricarboxylate; 2-nitroprop-1-ene-1,1-diamine Traditional Name: bismuth (1-amino-2-nitro-prop-1-enyl)amine citrate Formula: C9H12BiN3O9 MolecularWeight: 515.18666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(N)N)[N+](=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Bi+3]

Isomeric SMILES

CC(=C(N)N)[N+](=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Bi+3]

InChI

InChI=1S/C6H8O7.C3H7N3O2.Bi/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(3(4)5)6(7)8;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);4-5H2,1H3;/q;;+3/p-3