2-(carboxymethylsulfanyl)ethanoic acid; manganese; 1,10-phenanthroline-1,10-diide

Systemtic Name: 2-(carboxymethylsulfanyl)ethanoic acid; manganese; 1,10-phenanthroline-1,10-diide Openeye Name: 2-(carboxymethylsulfanyl)acetic acid; manganese; 1,10-phenanthroline-1,10-diide CAS Name: 2-(carboxymethylthio)acetic acid; manganese; 1,10-phenanthroline-1,10-diide IUPAC Name: 2-(carboxymethylsulfanyl)acetic acid; manganese; 1,10-phenanthroline-1,10-diide Traditional Name: 2-(carboxymethylthio)acetic acid; manganese; 1,10-phenanthroline-1,10-diide Formula: C28H22MnN4O4S-4 MolecularWeight: 565.501729

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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.C(C(=O)O)SCC(=O)O.[Mn]

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.C(C(=O)O)SCC(=O)O.[Mn]

InChI

InChI=1S/2C12H8N2.C4H6O4S.Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5-3(6)1-9-2-4(7)8;/h2*1-8H;1-2H2,(H,5,6)(H,7,8);/q2*-2;;