cyclopenta-1,3-diene; iron; 14-sulfanyltetradecyl cyclopenta-2,4-diene-1-carboxylate

Systemtic Name: cyclopenta-1,3-diene; iron; 14-sulfanyltetradecyl cyclopenta-2,4-diene-1-carboxylate Openeye Name: cyclopenta-1,3-diene; iron; 14-sulfanyltetradecyl cyclopenta-2,4-diene-1-carboxylate CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dienecarboxylic acid 14-mercaptotetradecyl ester; iron IUPAC Name: cyclopenta-1,3-diene; iron; 14-sulfanyltetradecyl cyclopenta-2,4-diene-1-carboxylate Traditional Name: cyclopenta-1,3-diene; cyclopenta-2,4-diene-1-carboxylic acid 14-mercaptotetradecyl ester; iron Formula: C25H38FeO2S-2 MolecularWeight: 458.47802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33O2S.C5H5.Fe/c21-20(19-15-11-12-16-19)22-17-13-9-7-5-3-1-2-4-6-8-10-14-18-23;1-2-4-5-3-1;/h11-12,15-16,23H,1-10,13-14,17-18H2;1-5H;/q2*-1;