1-cyclopenta-1,3-dien-1-ylethylbenzene; iron(2+); methanal

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13.3CH2O.Fe/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12;3*1-2;/h2-5,7-9,11H,10H2,1H3;3*1H2;/q-1;;;;+2