cyclopenta-1,3-diene; 3-cyclopenta-1,3-dien-1-ylbenzoic acid; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 3-cyclopenta-1,3-dien-1-ylbenzoic acid; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 3-cyclopenta-1,3-dien-1-ylbenzoic acid CAS Name: cyclopenta-1,3-diene; 3-(1-cyclopenta-1,3-dienyl)benzoic acid; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 3-cyclopenta-1,3-dien-1-ylbenzoic acid; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 3-cyclopenta-1,3-dien-1-ylbenzoic acid Formula: C17H14FeO2 MolecularWeight: 306.13686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1C2=CC(=CC=C2)C(=O)O.[Fe+2]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1C2=CC(=CC=C2)C(=O)O.[Fe+2]

InChI

InChI=1S/C12H9O2.C5H5.Fe/c13-12(14)11-7-3-6-10(8-11)9-4-1-2-5-9;1-2-4-5-3-1;/h1-8H,(H,13,14);1-5H;/q2*-1;+2