cyclopenta-1,3-diene; S-cyclopenta-2,4-dien-1-ylcarbonylsulfanyl cyclopenta-2,4-diene-1-carbothioate; iron

Systemtic Name: cyclopenta-1,3-diene; S-cyclopenta-2,4-dien-1-ylcarbonylsulfanyl cyclopenta-2,4-diene-1-carbothioate; iron Openeye Name: cyclopenta-1,3-diene; S-(cyclopenta-2,4-diene-1-carbonylsulfanyl) cyclopenta-2,4-diene-1-carbothioate; iron CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dienecarbothioic acid S-[[1-cyclopenta-2,4-dienyl(oxo)methyl]thio] ester; iron IUPAC Name: cyclopenta-1,3-diene; S-(cyclopenta-2,4-diene-1-carbonylsulfanyl) cyclopenta-2,4-diene-1-carbothioate; iron Traditional Name: cyclopenta-1,3-diene; cyclopenta-2,4-diene-1-carbothioic acid S-(cyclopenta-2,4-diene-1-carbonylthio) ester; iron Formula: C22H18Fe2O2S2-4 MolecularWeight: 490.19712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8O2S2.2C5H5.2Fe/c13-11(9-5-1-2-6-9)15-16-12(14)10-7-3-4-8-10;2*1-2-4-5-3-1;;/h1-8H;2*1-5H;;/q-2;2*-1;;