[4-[bis(oxidanyl)methyl]phenyl]methanediol; cadmium; cadmium(2+); 1,10-phenanthroline-1,10-diide; tetrahydrate

Systemtic Name: [4-[bis(oxidanyl)methyl]phenyl]methanediol; cadmium; cadmium(2+); 1,10-phenanthroline-1,10-diide; tetrahydrate Openeye Name: cadmium; cadmium(2+); [4-(dihydroxymethyl)phenyl]methanediol; 1,10-phenanthroline-1,10-diide; tetrahydrate CAS Name: cadmium; cadmium(2+); [4-(dihydroxymethyl)phenyl]methanediol; 1,10-phenanthroline-1,10-diide; tetrahydrate IUPAC Name: cadmium; cadmium(2+); [4-(dihydroxymethyl)phenyl]methanediol; 1,10-phenanthroline-1,10-diide; tetrahydrate Traditional Name: cadmium; cadmium(2+); [4-(dihydroxymethyl)phenyl]methanediol; 1,10-phenanthroline-1,10-diide; tetrahydrate Formula: C40H44Cd3N4O12 MolecularWeight: 1110.02996

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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=CC(=CC=C1C(O)O)C(O)O.C1=CC(=CC=C1C(O)O)C(O)O.O.O.O.O.[Cd].[Cd+2].[Cd+2]

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=CC(=CC=C1C(O)O)C(O)O.C1=CC(=CC=C1C(O)O)C(O)O.O.O.O.O.[Cd].[Cd+2].[Cd+2]

InChI

InChI=1S/2C12H8N2.2C8H10O4.3Cd.4H2O/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*9-7(10)5-1-2-6(4-3-5)8(11)12;;;;;;;/h2*1-8H;2*1-4,7-12H;;;;4*1H2/q2*-2;;;;2*+2;;;;