cyclopenta-1,3-diene; iron; 4,5,6,7-tetrakis(chloranyl)-2a-cyclopenta-2,4-dien-1-yl-2,8a-dihydrothieto[3,2-b][1,4]benzodioxine

Systemtic Name: cyclopenta-1,3-diene; iron; 4,5,6,7-tetrakis(chloranyl)-2a-cyclopenta-2,4-dien-1-yl-2,8a-dihydrothieto[3,2-b][1,4]benzodioxine Openeye Name: cyclopenta-1,3-diene; iron; 4,5,6,7-tetrachloro-2a-cyclopenta-2,4-dien-1-yl-2,8a-dihydrothieto[3,2-b][1,4]benzodioxine CAS Name: cyclopenta-1,3-diene; iron; 4,5,6,7-tetrachloro-2a-(1-cyclopenta-2,4-dienyl)-2,8a-dihydrothieto[3,2-b][1,4]benzodioxin IUPAC Name: cyclopenta-1,3-diene; iron; 4,5,6,7-tetrachloro-2a-cyclopenta-2,4-dien-1-yl-2,8a-dihydrothieto[3,2-b][1,4]benzodioxine Traditional Name: cyclopenta-1,3-diene; iron; 4,5,6,7-tetrachloro-2a-cyclopenta-2,4-dien-1-yl-2,8a-dihydrothieto[3,2-b][1,4]benzodioxin Formula: C19H12Cl4FeO2S-2 MolecularWeight: 502.01938

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(C(S1)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl)[C-]4C=CC=C4.[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

C1C2(C(S1)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl)[C-]4C=CC=C4.[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C14H7Cl4O2S.C5H5.Fe/c15-7-8(16)10(18)12-11(9(7)17)19-13-14(20-12,5-21-13)6-3-1-2-4-6;1-2-4-5-3-1;/h1-4,13H,5H2;1-5H;/q2*-1;