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

Systemtic Name: cyclopenta-1,3-diene; cyclopenta-1,4-dien-1-ylsulfinylbenzene; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; cyclopenta-1,4-dien-1-ylsulfinylbenzene CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-1,4-dienylsulfinylbenzene; iron(2+) IUPAC Name: cyclopenta-1,3-diene; cyclopenta-1,4-dien-1-ylsulfinylbenzene; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; cyclopenta-1,4-dien-1-ylsulfinylbenzene Formula: C16H14FeOS MolecularWeight: 310.19176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9OS.C5H5.Fe/c12-13(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9H;1-5H;/q2*-1;+2