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

Systemtic Name: cyclopenta-1,3-diene; 3-cyclopenta-1,3-dien-1-ylpropyl 4-methylbenzenesulfonate; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 3-cyclopenta-1,3-dien-1-ylpropyl 4-methylbenzenesulfonate CAS Name: cyclopenta-1,3-diene; iron(2+); 4-methylbenzenesulfonic acid 3-(1-cyclopenta-1,3-dienyl)propyl ester IUPAC Name: cyclopenta-1,3-diene; 3-cyclopenta-1,3-dien-1-ylpropyl 4-methylbenzenesulfonate; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 4-methylbenzenesulfonic acid 3-cyclopenta-1,3-dien-1-ylpropyl ester Formula: C20H22FeO3S MolecularWeight: 398.29688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC=C[CH-]2.[CH-]1C=CC=C1.[Fe+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC=C[CH-]2.[CH-]1C=CC=C1.[Fe+2]

InChI

InChI=1S/C15H17O3S.C5H5.Fe/c1-13-8-10-15(11-9-13)19(16,17)18-12-4-7-14-5-2-3-6-14;1-2-4-5-3-1;/h2-3,5-6,8-11H,4,7,12H2,1H3;1-5H;/q2*-1;+2