buta-1,3-diene; iron(4+); 3-methanidylidenepent-4-en-2-yl prop-2-enoate

Systemtic Name: buta-1,3-diene; iron(4+); 3-methanidylidenepent-4-en-2-yl prop-2-enoate Openeye Name: buta-1,3-diene; iron(4+); (2-methanidylidene-1-methyl-but-3-enyl) prop-2-enoate CAS Name: buta-1,3-diene; iron(4+); 2-propenoic acid 3-methanidylidenepent-4-en-2-yl ester IUPAC Name: buta-1,3-diene; iron(4+); 3-methanidylidenepent-4-en-2-yl prop-2-enoate Traditional Name: acrylic acid (2-methanidylidene-1-methyl-but-3-enyl) ester; buta-1,3-diene; iron(4+) Formula: C13H14FeO2 MolecularWeight: 258.09406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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