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

Systemtic Name: cyclopenta-1,3-diene; iron; S-phenyl cyclopenta-2,4-diene-1-carbothioate Openeye Name: cyclopenta-1,3-diene; iron; S-phenyl cyclopenta-2,4-diene-1-carbothioate CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dienecarbothioic acid S-phenyl ester; iron IUPAC Name: cyclopenta-1,3-diene; iron; S-phenyl cyclopenta-2,4-diene-1-carbothioate Traditional Name: cyclopenta-1,3-diene; cyclopenta-2,4-diene-1-carbothioic acid S-phenyl ester; iron Formula: C17H14FeOS-2 MolecularWeight: 322.20246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9OS.C5H5.Fe/c13-12(10-6-4-5-7-10)14-11-8-2-1-3-9-11;1-2-4-5-3-1;/h1-9H;1-5H;/q2*-1;