cyclopentane; iron(2+); methyl 2-cyclopentyl-4-(4-fluorophenyl)-6-methylsulfanyl-benzoate

Systemtic Name: cyclopentane; iron(2+); methyl 2-cyclopentyl-4-(4-fluorophenyl)-6-methylsulfanyl-benzoate Openeye Name: ferrous; cyclopentane; methyl 2-cyclopentyl-4-(4-fluorophenyl)-6-methylsulfanyl-benzoate CAS Name: cyclopentane; 2-cyclopentyl-4-(4-fluorophenyl)-6-(methylthio)benzoic acid methyl ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); methyl 2-cyclopentyl-4-(4-fluorophenyl)-6-methylsulfanylbenzoate Traditional Name: ferrous; cyclopentane; 2-cyclopentyl-4-(4-fluorophenyl)-6-(methylthio)benzoic acid methyl ester Formula: C25H21FFeO2S+2 MolecularWeight: 460.341443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1SC)C2=CC=C(C=C2)F)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1SC)C2=CC=C(C=C2)F)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C20H16FO2S.C5H5.Fe/c1-23-20(22)19-17(14-5-3-4-6-14)11-15(12-18(19)24-2)13-7-9-16(21)10-8-13;1-2-4-5-3-1;/h3-12H,1-2H3;1-5H;/q;;+2