benzene-1,3,5-tricarboxylic acid; cadmium; 1,10-phenanthroline-1,10-diide; hydrate

Systemtic Name: benzene-1,3,5-tricarboxylic acid; cadmium; 1,10-phenanthroline-1,10-diide; hydrate Openeye Name: benzene-1,3,5-tricarboxylic acid; cadmium; 1,10-phenanthroline-1,10-diide; hydrate CAS Name: benzene-1,3,5-tricarboxylic acid; cadmium; 1,10-phenanthroline-1,10-diide; hydrate IUPAC Name: benzene-1,3,5-tricarboxylic acid; cadmium; 1,10-phenanthroline-1,10-diide; hydrate Traditional Name: cadmium; 1,10-phenanthroline-1,10-diide; trimesic acid; hydrate Formula: C33H24Cd2N4O7-4 MolecularWeight: 813.38826

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O.O.[Cd].[Cd]

Isomeric SMILES

C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O.O.[Cd].[Cd]

InChI

InChI=1S/2C12H8N2.C9H6O6.2Cd.H2O/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;;/h2*1-8H;1-3H,(H,10,11)(H,12,13)(H,14,15);;;1H2/q2*-2;;;;