buta-1,3-diene; iron(4+); 2-methanidylidenebut-3-enyl prop-2-enoate

Systemtic Name: buta-1,3-diene; iron(4+); 2-methanidylidenebut-3-enyl prop-2-enoate Openeye Name: buta-1,3-diene; iron(4+); 2-methanidylidenebut-3-enyl prop-2-enoate CAS Name: buta-1,3-diene; iron(4+); 2-propenoic acid 2-methanidylidenebut-3-enyl ester IUPAC Name: buta-1,3-diene; iron(4+); 2-methanidylidenebut-3-enyl prop-2-enoate Traditional Name: acrylic acid 2-methanidylidenebut-3-enyl ester; buta-1,3-diene; iron(4+) Formula: C12H12FeO2 MolecularWeight: 244.06748

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCC(=[CH-])C=[CH-].[CH-]=CC=[CH-].[Fe+4]

Isomeric SMILES

C=CC(=O)OCC(=[CH-])C=[CH-].[CH-]=CC=[CH-].[Fe+4]

InChI

InChI=1S/C8H8O2.C4H4.Fe/c1-4-7(3)6-10-8(9)5-2;1-3-4-2;/h1,3-5H,2,6H2;1-4H;/q2*-2;+4