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

Systemtic Name: cyclopenta-1,3-diene; iron(2+); methanal; 1-methoxy-4-prop-1-ynyl-benzene Openeye Name: ferrous; cyclopenta-1,3-diene; formaldehyde; 1-methoxy-4-prop-1-ynyl-benzene CAS Name: cyclopenta-1,3-diene; formaldehyde; iron(2+); 1-methoxy-4-prop-1-ynylbenzene IUPAC Name: cyclopenta-1,3-diene; formaldehyde; iron(2+); 1-methoxy-4-prop-1-ynylbenzene Traditional Name: ferrous; cyclopenta-1,3-diene; formaldehyde; 1-methoxy-4-prop-1-ynyl-benzene Formula: C17H18FeO3 MolecularWeight: 326.16802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#C[CH2-].C=O.C=O.C1C=CC=[C-]1.[Fe+2]

Isomeric SMILES

COC1=CC=C(C=C1)C#C[CH2-].C=O.C=O.C1C=CC=[C-]1.[Fe+2]

InChI

InChI=1S/C10H9O.C5H5.2CH2O.Fe/c1-3-4-9-5-7-10(11-2)8-6-9;1-2-4-5-3-1;2*1-2;/h5-8H,1H2,2H3;1-3H,4H2;2*1H2;/q2*-1;;;+2