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

Systemtic Name: buta-1,3-diene; iron(4+); 3-methanidylidenepent-4-en-2-yl 2-methylprop-2-enoate Openeye Name: buta-1,3-diene; iron(4+); (2-methanidylidene-1-methyl-but-3-enyl) 2-methylprop-2-enoate CAS Name: buta-1,3-diene; iron(4+); 2-methyl-2-propenoic acid 3-methanidylidenepent-4-en-2-yl ester IUPAC Name: buta-1,3-diene; iron(4+); 3-methanidylidenepent-4-en-2-yl 2-methylprop-2-enoate Traditional Name: buta-1,3-diene; iron(4+); 2-methylacrylic acid (2-methanidylidene-1-methyl-but-3-enyl) ester Formula: C14H16FeO2 MolecularWeight: 272.12064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O2.C4H4.Fe/c1-6-8(4)9(5)12-10(11)7(2)3;1-3-4-2;/h1,4,6,9H,2H2,3,5H3;1-4H;/q2*-2;+4