1,3-diphenylpropane-1,3-dione; neodymium(3+); hydrate

Systemtic Name: 1,3-diphenylpropane-1,3-dione; neodymium(3+); hydrate Openeye Name: 1,3-diphenylpropane-1,3-dione; neodymium(3+); hydrate CAS Name: 1,3-diphenylpropane-1,3-dione; neodymium(3+); hydrate IUPAC Name: 1,3-diphenylpropane-1,3-dione; neodymium(3+); hydrate Traditional Name: 1,3-diphenylpropane-1,3-dione; neodymium(3+); hydrate Formula: C45H35NdO7+6 MolecularWeight: 831.9952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[CH+]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH+]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH+]C(=O)C2=CC=CC=C2.O.[Nd+3]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[CH+]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH+]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH+]C(=O)C2=CC=CC=C2.O.[Nd+3]

InChI

InChI=1S/3C15H11O2.Nd.H2O/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;/h3*1-11H;;1H2/q3*+1;+3;