cyclopenta-1,3-diene; 1-(3-cyclopenta-1,3-dien-1-ylpropyl)pyridin-1-ium; iron(2+); 4-methylbenzenesulfonate

Systemtic Name: cyclopenta-1,3-diene; 1-(3-cyclopenta-1,3-dien-1-ylpropyl)pyridin-1-ium; iron(2+); 4-methylbenzenesulfonate Openeye Name: ferrous; cyclopenta-1,3-diene; 1-(3-cyclopenta-1,3-dien-1-ylpropyl)pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: cyclopenta-1,3-diene; 1-[3-(1-cyclopenta-1,3-dienyl)propyl]pyridin-1-ium; iron(2+); 4-methylbenzenesulfonate IUPAC Name: cyclopenta-1,3-diene; 1-(3-cyclopenta-1,3-dien-1-ylpropyl)pyridin-1-ium; iron(2+); 4-methylbenzenesulfonate Traditional Name: ferrous; cyclopenta-1,3-diene; 1-(3-cyclopenta-1,3-dien-1-ylpropyl)pyridin-1-ium; tosylate Formula: C25H27FeNO3S MolecularWeight: 477.39678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].[CH-]1C=CC=C1.[CH-]1C=CC=C1CCC[N+]2=CC=CC=C2.[Fe+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].[CH-]1C=CC=C1.[CH-]1C=CC=C1CCC[N+]2=CC=CC=C2.[Fe+2]

InChI

InChI=1S/C13H15N.C7H8O3S.C5H5.Fe/c1-4-10-14(11-5-1)12-6-9-13-7-2-3-8-13;1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-5-3-1;/h1-5,7-8,10-11H,6,9,12H2;2-5H,1H3,(H,8,9,10);1-5H;/q;;-1;+2/p-1