cyclopenta-1,3-diene; iron; 17-sulfanylheptadecyl cyclopenta-2,4-diene-1-carboxylate

Systemtic Name: cyclopenta-1,3-diene; iron; 17-sulfanylheptadecyl cyclopenta-2,4-diene-1-carboxylate Openeye Name: cyclopenta-1,3-diene; iron; 17-sulfanylheptadecyl cyclopenta-2,4-diene-1-carboxylate CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dienecarboxylic acid 17-mercaptoheptadecyl ester; iron IUPAC Name: cyclopenta-1,3-diene; iron; 17-sulfanylheptadecyl cyclopenta-2,4-diene-1-carboxylate Traditional Name: cyclopenta-1,3-diene; cyclopenta-2,4-diene-1-carboxylic acid 17-mercaptoheptadecyl ester; iron Formula: C28H44FeO2S-2 MolecularWeight: 500.55776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39O2S.C5H5.Fe/c24-23(22-18-14-15-19-22)25-20-16-12-10-8-6-4-2-1-3-5-7-9-11-13-17-21-26;1-2-4-5-3-1;/h14-15,18-19,26H,1-13,16-17,20-21H2;1-5H;/q2*-1;