cyclopenta-1,3-diene; 2-cyclopenta-1,3-dien-1-ylsulfonyl-1,3,5-trimethyl-benzene; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 2-cyclopenta-1,3-dien-1-ylsulfonyl-1,3,5-trimethyl-benzene; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 2-cyclopenta-1,3-dien-1-ylsulfonyl-1,3,5-trimethyl-benzene CAS Name: cyclopenta-1,3-diene; 2-(1-cyclopenta-1,3-dienylsulfonyl)-1,3,5-trimethylbenzene; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 2-cyclopenta-1,3-dien-1-ylsulfonyl-1,3,5-trimethylbenzene; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 2-cyclopenta-1,3-dien-1-ylsulfonyl-1,3,5-trimethyl-benzene Formula: C19H20FeO2S MolecularWeight: 368.2709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15O2S.C5H5.Fe/c1-10-8-11(2)14(12(3)9-10)17(15,16)13-6-4-5-7-13;1-2-4-5-3-1;/h4-9H,1-3H3;1-5H;/q2*-1;+2