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

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-4-methyl-benzene; iron(2+); methanal Openeye Name: ferrous; 1-cyclopenta-1,4-dien-1-yl-4-methyl-benzene; formaldehyde CAS Name: 1-(1-cyclopenta-1,4-dienyl)-4-methylbenzene; formaldehyde; iron(2+) IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-4-methylbenzene; formaldehyde; iron(2+) Traditional Name: ferrous; 1-cyclopenta-1,4-dien-1-yl-4-methyl-benzene; formaldehyde Formula: C15H17FeO3+ MolecularWeight: 301.13868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC[C-]=C2.C=O.C=O.C=O.[Fe+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC[C-]=C2.C=O.C=O.C=O.[Fe+2]

InChI

InChI=1S/C12H11.3CH2O.Fe/c1-10-6-8-12(9-7-10)11-4-2-3-5-11;3*1-2;/h4-9H,2H2,1H3;3*1H2;/q-1;;;;+2