ethanoic acid; manganese; (6E)-2-phenyl-6-[[(phenylmethyl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: ethanoic acid; manganese; (6E)-2-phenyl-6-[[(phenylmethyl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: acetic acid; (6E)-6-[(benzylamino)methylene]-2-phenyl-cyclohexa-2,4-dien-1-one; manganese CAS Name: acetic acid; manganese; (6E)-2-phenyl-6-[[(phenylmethyl)amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: acetic acid; (6E)-6-[(benzylamino)methylidene]-2-phenylcyclohexa-2,4-dien-1-one; manganese Traditional Name: acetic acid; (6E)-6-[(benzylamino)methylene]-2-phenyl-cyclohexa-2,4-dien-1-one; manganese Formula: C42H38MnN2O4 MolecularWeight: 689.700169

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)CNC=C2C=CC=C(C2=O)C3=CC=CC=C3.C1=CC=C(C=C1)CNC=C2C=CC=C(C2=O)C3=CC=CC=C3.[Mn]

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)CN/C=C\2/C(=O)C(=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)CN/C=C\2/C(=O)C(=CC=C2)C3=CC=CC=C3.[Mn]

InChI

InChI=1S/2C20H17NO.C2H4O2.Mn/c2*22-20-18(15-21-14-16-8-3-1-4-9-16)12-7-13-19(20)17-10-5-2-6-11-17;1-2(3)4;/h2*1-13,15,21H,14H2;1H3,(H,3,4);/b2*18-15+;;