5-cyclopenta-1,4-dien-1-yl-4-oxidanylidene-hexanoic acid; 2-ethylcyclopenta-1,3-diene; iron(2+)

Systemtic Name: 5-cyclopenta-1,4-dien-1-yl-4-oxidanylidene-hexanoic acid; 2-ethylcyclopenta-1,3-diene; iron(2+) Openeye Name: ferrous; 5-cyclopenta-1,4-dien-1-yl-4-oxo-hexanoic acid; 2-ethylcyclopenta-1,3-diene CAS Name: 5-(1-cyclopenta-1,4-dienyl)-4-oxohexanoic acid; 2-ethylcyclopenta-1,3-diene; iron(2+) IUPAC Name: 5-cyclopenta-1,4-dien-1-yl-4-oxohexanoic acid; 2-ethylcyclopenta-1,3-diene; iron(2+) Traditional Name: ferrous; 5-cyclopenta-1,4-dien-1-yl-4-keto-hexanoic acid; 2-ethylcyclopenta-1,3-diene Formula: C18H22FeO3 MolecularWeight: 342.21048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[C-]CC=C1.CC(C1=[C-]CC=C1)C(=O)CCC(=O)O.[Fe+2]

Isomeric SMILES

CCC1=[C-]CC=C1.CC(C1=[C-]CC=C1)C(=O)CCC(=O)O.[Fe+2]

InChI

InChI=1S/C11H13O3.C7H9.Fe/c1-8(9-4-2-3-5-9)10(12)6-7-11(13)14;1-2-7-5-3-4-6-7;/h2,4,8H,3,6-7H2,1H3,(H,13,14);3,5H,2,4H2,1H3;/q2*-1;+2