2-[(3-chloranyl-2-methyl-phenyl)amino]benzoate; manganese(2+); dihydrate

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)amino]benzoate; manganese(2+); dihydrate Openeye Name: manganous 2-(3-chloro-2-methyl-anilino)benzoate dihydrate CAS Name: 2-(3-chloro-2-methylanilino)benzoate; manganese(2+); dihydrate IUPAC Name: 2-(3-chloro-2-methylanilino)benzoate; manganese(2+); dihydrate Traditional Name: manganous 2-(3-chloro-2-methyl-anilino)benzoate dihydrate Formula: C28H26Cl2MnN2O6 MolecularWeight: 612.359889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)[O-].CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)[O-].O.O.[Mn+2]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)[O-].CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)[O-].O.O.[Mn+2]

InChI

InChI=1S/2C14H12ClNO2.Mn.2H2O/c2*1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18;;;/h2*2-8,16H,1H3,(H,17,18);;2*1H2/q;;+2;;/p-2