cyclopenta-1,3-diene; iron; 12-sulfanyldodecyl cyclopenta-2,4-diene-1-carboxylate

Systemtic Name: cyclopenta-1,3-diene; iron; 12-sulfanyldodecyl cyclopenta-2,4-diene-1-carboxylate Openeye Name: cyclopenta-1,3-diene; iron; 12-sulfanyldodecyl cyclopenta-2,4-diene-1-carboxylate CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dienecarboxylic acid 12-mercaptododecyl ester; iron IUPAC Name: cyclopenta-1,3-diene; iron; 12-sulfanyldodecyl cyclopenta-2,4-diene-1-carboxylate Traditional Name: cyclopenta-1,3-diene; cyclopenta-2,4-diene-1-carboxylic acid 12-mercaptododecyl ester; iron Formula: C23H34FeO2S-2 MolecularWeight: 430.42486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29O2S.C5H5.Fe/c19-18(17-13-9-10-14-17)20-15-11-7-5-3-1-2-4-6-8-12-16-21;1-2-4-5-3-1;/h9-10,13-14,21H,1-8,11-12,15-16H2;1-5H;/q2*-1;