cyclopentane; 2-[(E)-2-cyclopentylethenyl]-3-ethyl-1,3-benzothiazol-3-ium; iron; iodide

Systemtic Name: cyclopentane; 2-[(E)-2-cyclopentylethenyl]-3-ethyl-1,3-benzothiazol-3-ium; iron; iodide Openeye Name: cyclopentane; 2-[(E)-2-cyclopentylvinyl]-3-ethyl-1,3-benzothiazol-3-ium; iron; iodide CAS Name: cyclopentane; 2-[(E)-2-cyclopentylethenyl]-3-ethyl-1,3-benzothiazol-3-ium; iron; iodide IUPAC Name: cyclopentane; 2-[(E)-2-cyclopentylethenyl]-3-ethyl-1,3-benzothiazol-3-ium; iron; iodide Traditional Name: cyclopentane; 2-[(E)-2-cyclopentylvinyl]-3-ethyl-1,3-benzothiazol-3-ium; iron; iodide Formula: C21H30FeINS MolecularWeight: 511.28407

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=CC3CCCC3.C1CCCC1.[Fe].[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3CCCC3.C1CCCC1.[Fe].[I-]

InChI

InChI=1S/C16H20NS.C5H10.Fe.HI/c1-2-17-14-9-5-6-10-15(14)18-16(17)12-11-13-7-3-4-8-13;1-2-4-5-3-1;;/h5-6,9-13H,2-4,7-8H2,1H3;1-5H2;;1H/q+1;;;/p-1/b12-11+;;;