cyclopentane; iron; methyl 2-[3-(phenylcarbonyloxy)-5-propan-2-yl-phenoxy]benzoate

Systemtic Name: cyclopentane; iron; methyl 2-[3-(phenylcarbonyloxy)-5-propan-2-yl-phenoxy]benzoate Openeye Name: cyclopentane; iron; methyl 2-(3-benzoyloxy-5-isopropyl-phenoxy)benzoate CAS Name: 2-(3-benzoyloxy-5-propan-2-ylphenoxy)benzoic acid methyl ester; cyclopentane; iron IUPAC Name: cyclopentane; iron; methyl 2-(3-benzoyloxy-5-propan-2-ylphenoxy)benzoate Traditional Name: 2-(3-benzoyloxy-5-isopropyl-phenoxy)benzoic acid methyl ester; cyclopentane; iron Formula: C29H27FeO5 MolecularWeight: 511.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1)OC(=O)C2=CC=CC=C2)OC3=CC=CC=C3C(=O)OC.[CH]1[CH][CH][CH][CH]1.[Fe]

Isomeric SMILES

CC(C)C1=CC(=CC(=C1)OC(=O)C2=CC=CC=C2)OC3=CC=CC=C3C(=O)OC.[CH]1[CH][CH][CH][CH]1.[Fe]

InChI

InChI=1S/C24H22O5.C5H5.Fe/c1-16(2)18-13-19(28-22-12-8-7-11-21(22)24(26)27-3)15-20(14-18)29-23(25)17-9-5-4-6-10-17;1-2-4-5-3-1;/h4-16H,1-3H3;1-5H;