gadolinium(2+); 2-methylbut-2-ene-1,1-diol; 1,10-phenanthroline-1,10-diide

Systemtic Name: gadolinium(2+); 2-methylbut-2-ene-1,1-diol; 1,10-phenanthroline-1,10-diide Openeye Name: gadolinium(2+); 2-methylbut-2-ene-1,1-diol; 1,10-phenanthroline-1,10-diide CAS Name: gadolinium(2+); 2-methyl-2-butene-1,1-diol; 1,10-phenanthroline-1,10-diide IUPAC Name: gadolinium(2+); 2-methylbut-2-ene-1,1-diol; 1,10-phenanthroline-1,10-diide Traditional Name: gadolinium(2+); 2-methylbut-2-ene-1,1-diol; 1,10-phenanthroline-1,10-diide Formula: C54H76Gd2N4O12 MolecularWeight: 1287.70084

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(O)O.CC=C(C)C(O)O.CC=C(C)C(O)O.CC=C(C)C(O)O.CC=C(C)C(O)O.CC=C(C)C(O)O.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[Gd+2].[Gd+2]

Isomeric SMILES

CC=C(C)C(O)O.CC=C(C)C(O)O.CC=C(C)C(O)O.CC=C(C)C(O)O.CC=C(C)C(O)O.CC=C(C)C(O)O.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[Gd+2].[Gd+2]

InChI

InChI=1S/2C12H8N2.6C5H10O2.2Gd/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*1-3-4(2)5(6)7;;/h2*1-8H;6*3,5-7H,1-2H3;;/q2*-2;;;;;;;2*+2