cyclopenta-1,3-diene; hexadecyl cyclopenta-2,4-diene-1-carboxylate; iron

Systemtic Name: cyclopenta-1,3-diene; hexadecyl cyclopenta-2,4-diene-1-carboxylate; iron Openeye Name: cyclopenta-1,3-diene; hexadecyl cyclopenta-2,4-diene-1-carboxylate; iron CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dienecarboxylic acid hexadecyl ester; iron IUPAC Name: cyclopenta-1,3-diene; hexadecyl cyclopenta-2,4-diene-1-carboxylate; iron Traditional Name: cyclopenta-1,3-diene; cyclopenta-2,4-diene-1-carboxylic acid cetyl ester; iron Formula: C27H42FeO2-2 MolecularWeight: 454.46618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37O2.C5H5.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-22(23)21-18-15-16-19-21;1-2-4-5-3-1;/h15-16,18-19H,2-14,17,20H2,1H3;1-5H;/q2*-1;