cyclopenta-1,3-diene; iron(2+); pyrene

Systemtic Name: cyclopenta-1,3-diene; iron(2+); pyrene Openeye Name: ferrous; cyclopenta-1,3-diene; pyrene CAS Name: cyclopenta-1,3-diene; iron(2+); pyrene IUPAC Name: cyclopenta-1,3-diene; iron(2+); pyrene Traditional Name: ferrous; cyclopenta-1,3-diene; pyrene Formula: C21H15Fe+ MolecularWeight: 323.1888

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2.[Fe+2]

Isomeric SMILES

C1C=CC=[C-]1.C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2.[Fe+2]

InChI

InChI=1S/C16H10.C5H5.Fe/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-4-5-3-1;/h1-10H;1-3H,4H2;/q;-1;+2