1-cyclopenta-1,4-dien-1-yl-3-ethyl-benzene; iron(2+); methanal

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-3-ethyl-benzene; iron(2+); methanal Openeye Name: ferrous; 1-cyclopenta-1,4-dien-1-yl-3-ethyl-benzene; formaldehyde CAS Name: 1-(1-cyclopenta-1,4-dienyl)-3-ethylbenzene; formaldehyde; iron(2+) IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-3-ethylbenzene; formaldehyde; iron(2+) Traditional Name: ferrous; 1-cyclopenta-1,4-dien-1-yl-3-ethyl-benzene; formaldehyde Formula: C16H19FeO3+ MolecularWeight: 315.16526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=[C-]CC=C2.C=O.C=O.C=O.[Fe+2]

Isomeric SMILES

CCC1=CC=CC(=C1)C2=[C-]CC=C2.C=O.C=O.C=O.[Fe+2]

InChI

InChI=1S/C13H13.3CH2O.Fe/c1-2-11-6-5-9-13(10-11)12-7-3-4-8-12;3*1-2;/h3,5-7,9-10H,2,4H2,1H3;3*1H2;/q-1;;;;+2