carbon monoxide; iron; iron(2+); methanone; 2-phenylethenylbenzene

Systemtic Name: carbon monoxide; iron; iron(2+); methanone; 2-phenylethenylbenzene Openeye Name: ferrous; carbon monoxide; iron; methanone; 2-phenylvinylbenzene CAS Name: carbon monoxide; iron; iron(2+); methanone; 2-phenylethenylbenzene IUPAC Name: carbon monoxide; iron; iron(2+); methanone; 2-phenylethenylbenzene Traditional Name: ferrous; carbon monoxide; iron; methanone; 2-phenylvinylbenzene Formula: C34H22Fe2O6 MolecularWeight: 638.22488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H10.2CHO.4CO.2Fe/c2*1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;6*1-2;;/h2*1-10H;2*1H;;;;;;/q;;2*-1;;;;;;+2