cyclopenta-1,3-diene; iron; 11-sulfanylundecyl cyclopenta-2,4-diene-1-carboxylate

Systemtic Name: cyclopenta-1,3-diene; iron; 11-sulfanylundecyl cyclopenta-2,4-diene-1-carboxylate Openeye Name: cyclopenta-1,3-diene; iron; 11-sulfanylundecyl cyclopenta-2,4-diene-1-carboxylate CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dienecarboxylic acid 11-mercaptoundecyl ester; iron IUPAC Name: cyclopenta-1,3-diene; iron; 11-sulfanylundecyl cyclopenta-2,4-diene-1-carboxylate Traditional Name: cyclopenta-1,3-diene; cyclopenta-2,4-diene-1-carboxylic acid 11-mercaptoundecyl ester; iron Formula: C22H32FeO2S-2 MolecularWeight: 416.39828

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=C[C-](C=C1)C(=O)OCCCCCCCCCCCS.[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.C1=C[C-](C=C1)C(=O)OCCCCCCCCCCCS.[Fe]

InChI

InChI=1S/C17H27O2S.C5H5.Fe/c18-17(16-12-8-9-13-16)19-14-10-6-4-2-1-3-5-7-11-15-20;1-2-4-5-3-1;/h8-9,12-13,20H,1-7,10-11,14-15H2;1-5H;/q2*-1;