cyclopenta-1,3-diene; iron; 18-sulfanyloctadecyl cyclopenta-2,4-diene-1-carboxylate

Systemtic Name: cyclopenta-1,3-diene; iron; 18-sulfanyloctadecyl cyclopenta-2,4-diene-1-carboxylate Openeye Name: cyclopenta-1,3-diene; iron; 18-sulfanyloctadecyl cyclopenta-2,4-diene-1-carboxylate CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dienecarboxylic acid 18-mercaptooctadecyl ester; iron IUPAC Name: cyclopenta-1,3-diene; iron; 18-sulfanyloctadecyl cyclopenta-2,4-diene-1-carboxylate Traditional Name: cyclopenta-1,3-diene; cyclopenta-2,4-diene-1-carboxylic acid 18-mercaptooctadecyl ester; iron Formula: C29H46FeO2S-2 MolecularWeight: 514.58434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41O2S.C5H5.Fe/c25-24(23-19-15-16-20-23)26-21-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-22-27;1-2-4-5-3-1;/h15-16,19-20,27H,1-14,17-18,21-22H2;1-5H;/q2*-1;