cyclopenta-1,3-diene; 1-cyclopenta-2,4-dien-1-yl-3,5,5-trimethyl-hexan-1-one; iron

Systemtic Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dien-1-yl-3,5,5-trimethyl-hexan-1-one; iron Openeye Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dien-1-yl-3,5,5-trimethyl-hexan-1-one; iron CAS Name: cyclopenta-1,3-diene; 1-(1-cyclopenta-2,4-dienyl)-3,5,5-trimethyl-1-hexanone; iron IUPAC Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dien-1-yl-3,5,5-trimethylhexan-1-one; iron Traditional Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dien-1-yl-3,5,5-trimethyl-hexan-1-one; iron Formula: C19H26FeO-2 MolecularWeight: 326.25414

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[C-]1C=CC=C1)CC(C)(C)C.[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

CC(CC(=O)[C-]1C=CC=C1)CC(C)(C)C.[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C14H21O.C5H5.Fe/c1-11(10-14(2,3)4)9-13(15)12-7-5-6-8-12;1-2-4-5-3-1;/h5-8,11H,9-10H2,1-4H3;1-5H;/q2*-1;