1-tert-butyl-4-prop-1-ynyl-benzene; cyclopenta-1,3-diene; iron(2+); methanal

Systemtic Name: 1-tert-butyl-4-prop-1-ynyl-benzene; cyclopenta-1,3-diene; iron(2+); methanal Openeye Name: ferrous; 1-tert-butyl-4-prop-1-ynyl-benzene; cyclopenta-1,3-diene; formaldehyde CAS Name: 1-tert-butyl-4-prop-1-ynylbenzene; cyclopenta-1,3-diene; formaldehyde; iron(2+) IUPAC Name: 1-tert-butyl-4-prop-1-ynylbenzene; cyclopenta-1,3-diene; formaldehyde; iron(2+) Traditional Name: ferrous; 1-tert-butyl-4-prop-1-ynyl-benzene; cyclopenta-1,3-diene; formaldehyde Formula: C20H24FeO2 MolecularWeight: 352.24836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C#C[CH2-].C=O.C=O.C1C=CC=[C-]1.[Fe+2]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C#C[CH2-].C=O.C=O.C1C=CC=[C-]1.[Fe+2]

InChI

InChI=1S/C13H15.C5H5.2CH2O.Fe/c1-5-6-11-7-9-12(10-8-11)13(2,3)4;1-2-4-5-3-1;2*1-2;/h7-10H,1H2,2-4H3;1-3H,4H2;2*1H2;/q2*-1;;;+2