cyclopentane; iron(2+); methyl 2-cyclopentyl-6-methylsulfanyl-4-pyridin-3-yl-benzoate

Systemtic Name: cyclopentane; iron(2+); methyl 2-cyclopentyl-6-methylsulfanyl-4-pyridin-3-yl-benzoate Openeye Name: ferrous; cyclopentane; methyl 2-cyclopentyl-6-methylsulfanyl-4-(3-pyridyl)benzoate CAS Name: cyclopentane; 2-cyclopentyl-6-(methylthio)-4-(3-pyridinyl)benzoic acid methyl ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); methyl 2-cyclopentyl-6-methylsulfanyl-4-pyridin-3-ylbenzoate Traditional Name: ferrous; cyclopentane; 2-cyclopentyl-6-(methylthio)-4-(3-pyridyl)benzoic acid methyl ester Formula: C24H21FeNO2S+2 MolecularWeight: 443.33904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H16NO2S.C5H5.Fe/c1-22-19(21)18-16(13-6-3-4-7-13)10-15(11-17(18)23-2)14-8-5-9-20-12-14;1-2-4-5-3-1;/h3-12H,1-2H3;1-5H;/q;;+2