manganese; 4-methylbenzenesulfonic acid; 1,10-phenanthroline-1,10-diide

Systemtic Name: manganese; 4-methylbenzenesulfonic acid; 1,10-phenanthroline-1,10-diide Openeye Name: manganese; 4-methylbenzenesulfonic acid; 1,10-phenanthroline-1,10-diide CAS Name: manganese; 4-methylbenzenesulfonic acid; 1,10-phenanthroline-1,10-diide IUPAC Name: manganese; 4-methylbenzenesulfonic acid; 1,10-phenanthroline-1,10-diide Traditional Name: manganese; 1,10-phenanthroline-1,10-diide; tosylic acid Formula: C38H32MnN4O6S2-4 MolecularWeight: 759.751929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=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.[Mn]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=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.[Mn]

InChI

InChI=1S/2C12H8N2.2C7H8O3S.Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*1-8H;2*2-5H,1H3,(H,8,9,10);/q2*-2;;;