5-chloranyl-3-cyclopenta-2,4-dien-1-yl-2,2,6,6-tetramethyl-heptan-3-ol; cyclopenta-1,3-diene; iron

Systemtic Name: 5-chloranyl-3-cyclopenta-2,4-dien-1-yl-2,2,6,6-tetramethyl-heptan-3-ol; cyclopenta-1,3-diene; iron Openeye Name: 5-chloro-3-cyclopenta-2,4-dien-1-yl-2,2,6,6-tetramethyl-heptan-3-ol; cyclopenta-1,3-diene; iron CAS Name: 5-chloro-3-(1-cyclopenta-2,4-dienyl)-2,2,6,6-tetramethyl-3-heptanol; cyclopenta-1,3-diene; iron IUPAC Name: 5-chloro-3-cyclopenta-2,4-dien-1-yl-2,2,6,6-tetramethylheptan-3-ol; cyclopenta-1,3-diene; iron Traditional Name: 5-chloro-3-cyclopenta-2,4-dien-1-yl-2,2,6,6-tetramethyl-heptan-3-ol; cyclopenta-1,3-diene; iron Formula: C21H31ClFeO-2 MolecularWeight: 390.76824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClO.C5H5.Fe/c1-14(2,3)13(17)11-16(18,15(4,5)6)12-9-7-8-10-12;1-2-4-5-3-1;/h7-10,13,18H,11H2,1-6H3;1-5H;/q2*-1;