5-cyclopentyl-8-methyl-6-nitro-quinoline; (5-cyclopentylthiophen-2-yl)-phenyl-methanone; iron(2+)

Systemtic Name: 5-cyclopentyl-8-methyl-6-nitro-quinoline; (5-cyclopentylthiophen-2-yl)-phenyl-methanone; iron(2+) Openeye Name: ferrous; 5-cyclopentyl-8-methyl-6-nitro-quinoline; (5-cyclopentyl-2-thienyl)-phenyl-methanone CAS Name: 5-cyclopentyl-8-methyl-6-nitroquinoline; (5-cyclopentyl-2-thiophenyl)-phenylmethanone; iron(2+) IUPAC Name: 5-cyclopentyl-8-methyl-6-nitroquinoline; (5-cyclopentylthiophen-2-yl)-phenylmethanone; iron(2+) Traditional Name: ferrous; 5-cyclopentyl-8-methyl-6-nitro-quinoline; (5-cyclopentyl-2-thienyl)-phenyl-methanone Formula: C31H22FeN2O3S+2 MolecularWeight: 558.42798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1N=CC=C2)[C]3[CH][CH][CH][CH]3)[N+](=O)[O-].C1=CC=C(C=C1)C(=O)C2=CC=C(S2)[C]3[CH][CH][CH][CH]3.[Fe+2]

Isomeric SMILES

CC1=CC(=C(C2=C1N=CC=C2)[C]3[CH][CH][CH][CH]3)[N+](=O)[O-].C1=CC=C(C=C1)C(=O)C2=CC=C(S2)[C]3[CH][CH][CH][CH]3.[Fe+2]

InChI

InChI=1S/C16H11OS.C15H11N2O2.Fe/c17-16(13-8-2-1-3-9-13)15-11-10-14(18-15)12-6-4-5-7-12;1-10-9-13(17(18)19)14(11-5-2-3-6-11)12-7-4-8-16-15(10)12;/h1-11H;2-9H,1H3;/q;;+2