cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaborinane; iron

Systemtic Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaborinane; iron Openeye Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-4-isopropyl-5,5-dimethyl-1,3,2-dioxaborinane; iron CAS Name: cyclopenta-1,3-diene; 2-(1-cyclopenta-2,4-dienyl)-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaborinane; iron IUPAC Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaborinane; iron Traditional Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-4-isopropyl-5,5-dimethyl-1,3,2-dioxaborinane; iron Formula: C18H25BFeO2-2 MolecularWeight: 340.0459

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(C(O1)C(C)C)(C)C)[C-]2C=CC=C2.[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

B1(OCC(C(O1)C(C)C)(C)C)[C-]2C=CC=C2.[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C13H20BO2.C5H5.Fe/c1-10(2)12-13(3,4)9-15-14(16-12)11-7-5-6-8-11;1-2-4-5-3-1;/h5-8,10,12H,9H2,1-4H3;1-5H;/q2*-1;