chloranylcobalt(2+); 1,10-phenanthroline-1,10-diide; terephthalic acid

Systemtic Name: chloranylcobalt(2+); 1,10-phenanthroline-1,10-diide; terephthalic acid Openeye Name: chlorocobalt(2+); 1,10-phenanthroline-1,10-diide; terephthalic acid CAS Name: chlorocobalt(2+); 1,10-phenanthroline-1,10-diide; terephthalic acid IUPAC Name: chlorocobalt(2+); 1,10-phenanthroline-1,10-diide; terephthalic acid Traditional Name: chlorocobalt(2+); 1,10-phenanthroline-1,10-diide; terephthalic acid Formula: C32H22Cl2Co2N4O4 MolecularWeight: 715.31388

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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.Cl[Co+2].Cl[Co+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.Cl[Co+2].Cl[Co+2]

InChI

InChI=1S/2C12H8N2.C8H6O4.2ClH.2Co/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-7(10)5-1-2-6(4-3-5)8(11)12;;;;/h2*1-8H;1-4H,(H,9,10)(H,11,12);2*1H;;/q2*-2;;;;2*+3/p-2