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

Systemtic Name: 16-bromanylhexadecyl cyclopenta-2,4-diene-1-carboxylate; cyclopenta-1,3-diene; iron Openeye Name: 16-bromohexadecyl cyclopenta-2,4-diene-1-carboxylate; cyclopenta-1,3-diene; iron CAS Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dienecarboxylic acid 16-bromohexadecyl ester; iron IUPAC Name: 16-bromohexadecyl cyclopenta-2,4-diene-1-carboxylate; cyclopenta-1,3-diene; iron Traditional Name: cyclopenta-1,3-diene; cyclopenta-2,4-diene-1-carboxylic acid 16-bromohexadecyl ester; iron Formula: C27H41BrFeO2-2 MolecularWeight: 533.36224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36BrO2.C5H5.Fe/c23-19-15-11-9-7-5-3-1-2-4-6-8-10-12-16-20-25-22(24)21-17-13-14-18-21;1-2-4-5-3-1;/h13-14,17-18H,1-12,15-16,19-20H2;1-5H;/q2*-1;