cyclopenta-1,3-diene; iron; 16-sulfanylhexadecyl cyclopenta-2,4-diene-1-carboxylate

Systemtic Name: cyclopenta-1,3-diene; iron; 16-sulfanylhexadecyl cyclopenta-2,4-diene-1-carboxylate Openeye Name: cyclopenta-1,3-diene; iron; 16-sulfanylhexadecyl cyclopenta-2,4-diene-1-carboxylate CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dienecarboxylic acid 16-mercaptohexadecyl ester; iron IUPAC Name: cyclopenta-1,3-diene; iron; 16-sulfanylhexadecyl cyclopenta-2,4-diene-1-carboxylate Traditional Name: cyclopenta-1,3-diene; cyclopenta-2,4-diene-1-carboxylic acid 16-mercaptohexadecyl ester; iron Formula: C27H42FeO2S-2 MolecularWeight: 486.53118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37O2S.C5H5.Fe/c23-22(21-17-13-14-18-21)24-19-15-11-9-7-5-3-1-2-4-6-8-10-12-16-20-25;1-2-4-5-3-1;/h13-14,17-18,25H,1-12,15-16,19-20H2;1-5H;/q2*-1;