cyclopenta-1,3-diene; ethyl 6-cyclopenta-2,4-dien-1-yl-6-oxidanylidene-hexanoate; iron

Systemtic Name: cyclopenta-1,3-diene; ethyl 6-cyclopenta-2,4-dien-1-yl-6-oxidanylidene-hexanoate; iron Openeye Name: cyclopenta-1,3-diene; ethyl 6-cyclopenta-2,4-dien-1-yl-6-oxo-hexanoate; iron CAS Name: cyclopenta-1,3-diene; 6-(1-cyclopenta-2,4-dienyl)-6-oxohexanoic acid ethyl ester; iron IUPAC Name: cyclopenta-1,3-diene; ethyl 6-cyclopenta-2,4-dien-1-yl-6-oxohexanoate; iron Traditional Name: cyclopenta-1,3-diene; 6-cyclopenta-2,4-dien-1-yl-6-keto-hexanoic acid ethyl ester; iron Formula: C18H22FeO3-2 MolecularWeight: 342.21048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17O3.C5H5.Fe/c1-2-16-13(15)10-6-5-9-12(14)11-7-3-4-8-11;1-2-4-5-3-1;/h3-4,7-8H,2,5-6,9-10H2,1H3;1-5H;/q2*-1;