cyclopenta-1,3-diene; (Z)-2-cyclopenta-1,4-dien-1-yl-3-thiophen-2-yl-prop-2-enal; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; (Z)-2-cyclopenta-1,4-dien-1-yl-3-thiophen-2-yl-prop-2-enal; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; (Z)-2-cyclopenta-1,4-dien-1-yl-3-(2-thienyl)prop-2-enal CAS Name: cyclopenta-1,3-diene; (Z)-2-(1-cyclopenta-1,4-dienyl)-3-thiophen-2-yl-2-propenal; iron(2+) IUPAC Name: cyclopenta-1,3-diene; (Z)-2-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylprop-2-enal; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; (Z)-2-cyclopenta-1,4-dien-1-yl-3-(2-thienyl)acrolein Formula: C17H14FeOS MolecularWeight: 322.20246

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC(=[C-]1)C(=CC2=CC=CS2)C=O.[Fe+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC(=[C-]1)/C(=C/C2=CC=CS2)/C=O.[Fe+2]

InChI

InChI=1S/C12H9OS.C5H5.Fe/c13-9-11(10-4-1-2-5-10)8-12-6-3-7-14-12;1-2-4-5-3-1;/h1,3-4,6-9H,2H2;1-3H,4H2;/q2*-1;+2/b11-8+;;