iron; (6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one; hydrate

Systemtic Name: iron; (6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one; hydrate Openeye Name: iron; (6Z)-6-(propylaminomethylene)cyclohexa-2,4-dien-1-one; hydrate CAS Name: iron; (6Z)-6-(propylaminomethylidene)-1-cyclohexa-2,4-dienone; hydrate IUPAC Name: iron; (6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one; hydrate Traditional Name: iron; (6Z)-6-(propylaminomethylene)cyclohexa-2,4-dien-1-one; hydrate Formula: C40H54Fe2N4O5 MolecularWeight: 782.57056

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC=C1C=CC=CC1=O.CCCNC=C1C=CC=CC1=O.CCCNC=C1C=CC=CC1=O.CCCNC=C1C=CC=CC1=O.O.[Fe].[Fe]

Isomeric SMILES

CCCN/C=C/1\C(=O)C=CC=C1.CCCN/C=C/1\C(=O)C=CC=C1.CCCN/C=C/1\C(=O)C=CC=C1.CCCN/C=C/1\C(=O)C=CC=C1.O.[Fe].[Fe]

InChI

InChI=1S/4C10H13NO.2Fe.H2O/c4*1-2-7-11-8-9-5-3-4-6-10(9)12;;;/h4*3-6,8,11H,2,7H2,1H3;;;1H2/b4*9-8-;;;