magnesium; 2,4-ditert-butyl-6-[(E)-cyclopenta-2,4-dien-1-ylazaniumylidenemethyl]phenolate; iron; oxolane

Systemtic Name: magnesium; 2,4-ditert-butyl-6-[(E)-cyclopenta-2,4-dien-1-ylazaniumylidenemethyl]phenolate; iron; oxolane Openeye Name: magnesium; 2,4-ditert-butyl-6-[(E)-cyclopenta-2,4-dien-1-yliminiomethyl]phenolate; iron; tetrahydrofuran CAS Name: magnesium; 2,4-ditert-butyl-6-[(E)-1-cyclopenta-2,4-dienyliminiomethyl]phenolate; iron; oxolane IUPAC Name: magnesium; 2,4-ditert-butyl-6-[(E)-cyclopenta-2,4-dien-1-ylazaniumylidenemethyl]phenolate; iron; oxolane Traditional Name: magnesium; 2,4-ditert-butyl-6-[(E)-cyclopenta-2,4-dien-1-yliminiomethyl]phenolate; iron; tetrahydrofuran Formula: C48H68FeMgN2O4 MolecularWeight: 817.21452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C=[NH+][C-]2C=CC=C2)[O-])C(C)(C)C.CC(C)(C)C1=CC(=C(C(=C1)C=[NH+][C-]2C=CC=C2)[O-])C(C)(C)C.C1CCOC1.C1CCOC1.[Mg+2].[Fe]

Isomeric SMILES

CC(C1=CC(=C(C(=C1)/C=[NH+]/[C-]2C=CC=C2)[O-])C(C)(C)C)(C)C.CC(C1=CC(=C(C(=C1)/C=[NH+]/[C-]2C=CC=C2)[O-])C(C)(C)C)(C)C.C1COCC1.C1COCC1.[Mg+2].[Fe]

InChI

InChI=1S/2C20H27NO.2C4H8O.Fe.Mg/c2*1-19(2,3)15-11-14(13-21-16-9-7-8-10-16)18(22)17(12-15)20(4,5)6;2*1-2-4-5-3-1;;/h2*7-13,21-22H,1-6H3;2*1-4H2;;/q;;;;;+2/p-2/b2*21-13+;;;;