iron; 6-[[4-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]butylamino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: iron; 6-[[4-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]butylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: iron; 6-[[4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]butylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: iron; 6-[[4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]butylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: iron; 6-[[4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]butylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: iron; 6-[[4-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]butylamino]methylene]cyclohexa-2,4-dien-1-one Formula: C54H60Fe2N6O6 MolecularWeight: 1000.7808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNCCCCNC=C2C=CC=CC2=O)C(=O)C=C1.C1=CC(=CNCCCCNC=C2C=CC=CC2=O)C(=O)C=C1.C1=CC(=CNCCCCNC=C2C=CC=CC2=O)C(=O)C=C1.[Fe].[Fe]

Isomeric SMILES

C1=CC(=CNCCCCNC=C2C=CC=CC2=O)C(=O)C=C1.C1=CC(=CNCCCCNC=C2C=CC=CC2=O)C(=O)C=C1.C1=CC(=CNCCCCNC=C2C=CC=CC2=O)C(=O)C=C1.[Fe].[Fe]

InChI

InChI=1S/3C18H20N2O2.2Fe/c3*21-17-9-3-1-7-15(17)13-19-11-5-6-12-20-14-16-8-2-4-10-18(16)22;;/h3*1-4,7-10,13-14,19-20H,5-6,11-12H2;;