(5-tert-butylcyclopenta-1,3-dien-1-yl)-phenyl-methanone; cyclopenta-1,3-diene; iron

Systemtic Name: (5-tert-butylcyclopenta-1,3-dien-1-yl)-phenyl-methanone; cyclopenta-1,3-diene; iron Openeye Name: (5-tert-butylcyclopenta-1,3-dien-1-yl)-phenyl-methanone; cyclopenta-1,3-diene; iron CAS Name: (5-tert-butyl-1-cyclopenta-1,3-dienyl)-phenylmethanone; cyclopenta-1,3-diene; iron IUPAC Name: (5-tert-butylcyclopenta-1,3-dien-1-yl)-phenylmethanone; cyclopenta-1,3-diene; iron Traditional Name: (5-tert-butylcyclopenta-1,3-dien-1-yl)-phenyl-methanone; cyclopenta-1,3-diene; iron Formula: C21H22FeO-2 MolecularWeight: 346.24378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[C-]1C=CC=C1C(=O)C2=CC=CC=C2.[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

CC(C)(C)[C-]1C=CC=C1C(=O)C2=CC=CC=C2.[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C16H17O.C5H5.Fe/c1-16(2,3)14-11-7-10-13(14)15(17)12-8-5-4-6-9-12;1-2-4-5-3-1;/h4-11H,1-3H3;1-5H;/q2*-1;