[[(2,4-dimethylphenyl)amino]-(3-oxidanylnaphthalen-2-yl)methylidene]oxidanium; iron

Systemtic Name: [[(2,4-dimethylphenyl)amino]-(3-oxidanylnaphthalen-2-yl)methylidene]oxidanium; iron Openeye Name: [(2,4-dimethylanilino)-(3-hydroxy-2-naphthyl)methylene]oxonium; iron CAS Name: [(2,4-dimethylanilino)-(3-hydroxy-2-naphthalenyl)methylidene]oxonium; iron IUPAC Name: [(2,4-dimethylanilino)-(3-hydroxynaphthalen-2-yl)methylidene]oxidanium; iron Traditional Name: [(2,4-dimethylanilino)-(3-hydroxy-2-naphthyl)methylene]oxonium; iron Formula: C38H36FeN2O4+2 MolecularWeight: 640.54844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=[OH+])C2=CC3=CC=CC=C3C=C2O)C.CC1=CC(=C(C=C1)NC(=[OH+])C2=CC3=CC=CC=C3C=C2O)C.[Fe]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=[OH+])C2=CC3=CC=CC=C3C=C2O)C.CC1=CC(=C(C=C1)NC(=[OH+])C2=CC3=CC=CC=C3C=C2O)C.[Fe]

InChI

InChI=1S/2C19H17NO2.Fe/c2*1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21;/h2*3-11,21H,1-2H3,(H,20,22);/p+2