anthracene; iron(2+); (3E)-penta-1,3-diene

Systemtic Name: anthracene; iron(2+); (3E)-penta-1,3-diene Openeye Name: ferrous; anthracene; (3E)-penta-1,3-diene CAS Name: anthracene; iron(2+); (3E)-penta-1,3-diene IUPAC Name: anthracene; iron(2+); (3E)-penta-1,3-diene Traditional Name: ferrous; anthracene; (3E)-penta-1,3-diene Formula: C19H17Fe+ MolecularWeight: 301.18328

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=[CH-].C1=CC=C2C=C3C=CC=CC3=CC2=C1.[Fe+2]

Isomeric SMILES

C/C=C/C=[CH-].C1=CC=C2C=C3C=CC=CC3=CC2=C1.[Fe+2]

InChI

InChI=1S/C14H10.C5H7.Fe/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-5-4-2;/h1-10H;1,3-5H,2H3;/q;-1;+2/b;5-4+;