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

Systemtic Name: buta-1,3-diene; iron(4+); 2-methanidylidenebut-3-enyl 2-methylprop-2-enoate Openeye Name: buta-1,3-diene; iron(4+); 2-methanidylidenebut-3-enyl 2-methylprop-2-enoate CAS Name: buta-1,3-diene; iron(4+); 2-methyl-2-propenoic acid 2-methanidylidenebut-3-enyl ester IUPAC Name: buta-1,3-diene; iron(4+); 2-methanidylidenebut-3-enyl 2-methylprop-2-enoate Traditional Name: buta-1,3-diene; iron(4+); 2-methylacrylic acid 2-methanidylidenebut-3-enyl ester Formula: C13H14FeO2 MolecularWeight: 258.09406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O2.C4H4.Fe/c1-5-8(4)6-11-9(10)7(2)3;1-3-4-2;/h1,4-5H,2,6H2,3H3;1-4H;/q2*-2;+4