2,4,6-trinitrophenolate; ytterbium(3+)

Systemtic Name: 2,4,6-trinitrophenolate; ytterbium(3+) Openeye Name: 2,4,6-trinitrophenolate; ytterbium(3+) CAS Name: 2,4,6-trinitrophenolate; ytterbium(3+) IUPAC Name: 2,4,6-trinitrophenolate; ytterbium(3+) Traditional Name: ytterbium(3+) tripicrate Formula: C18H6N9O21Yb MolecularWeight: 857.32794

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Yb+3]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Yb+3]

InChI

InChI=1S/3C6H3N3O7.Yb/c3*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h3*1-2,10H;/q;;;+3/p-3