(1Z)-6-tert-butyl-1-[(5-chloranyl-2-oxidanyl-phenyl)hydrazinylidene]naphthalen-2-one; iron

Systemtic Name: (1Z)-6-tert-butyl-1-[(5-chloranyl-2-oxidanyl-phenyl)hydrazinylidene]naphthalen-2-one; iron Openeye Name: (1Z)-6-tert-butyl-1-[(5-chloro-2-hydroxy-phenyl)hydrazono]naphthalen-2-one; iron CAS Name: (1Z)-6-tert-butyl-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]-2-naphthalenone; iron IUPAC Name: (1Z)-6-tert-butyl-1-[(5-chloro-2-hydroxyphenyl)hydrazinylidene]naphthalen-2-one; iron Traditional Name: (1Z)-6-tert-butyl-1-[(5-chloro-2-hydroxy-phenyl)hydrazono]naphthalen-2-one; iron Formula: C40H38Cl2FeN4O4 MolecularWeight: 765.50512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C(=NNC3=C(C=CC(=C3)Cl)O)C(=O)C=C2.CC(C)(C)C1=CC2=C(C=C1)C(=NNC3=C(C=CC(=C3)Cl)O)C(=O)C=C2.[Fe]

Isomeric SMILES

CC(C1=CC2=C(/C(=N/NC3=C(C=CC(=C3)Cl)O)/C(=O)C=C2)C=C1)(C)C.CC(C1=CC2=C(/C(=N/NC3=C(C=CC(=C3)Cl)O)/C(=O)C=C2)C=C1)(C)C.[Fe]

InChI

InChI=1S/2C20H19ClN2O2.Fe/c2*1-20(2,3)13-5-7-15-12(10-13)4-8-18(25)19(15)23-22-16-11-14(21)6-9-17(16)24;/h2*4-11,22,24H,1-3H3;/b2*23-19-;