cyclopentane; 2-cyclopentyl-4-methoxy-3-methyl-cyclohepta-2,4-dien-1-one; iron(2+)

Systemtic Name: cyclopentane; 2-cyclopentyl-4-methoxy-3-methyl-cyclohepta-2,4-dien-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; 2-cyclopentyl-4-methoxy-3-methyl-cyclohepta-2,4-dien-1-one CAS Name: cyclopentane; 2-cyclopentyl-4-methoxy-3-methyl-1-cyclohepta-2,4-dienone; iron(2+) IUPAC Name: cyclopentane; 2-cyclopentyl-4-methoxy-3-methylcyclohepta-2,4-dien-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; 2-cyclopentyl-4-methoxy-3-methyl-cyclohepta-2,4-dien-1-one Formula: C19H20FeO2+2 MolecularWeight: 336.2059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CCC=C1OC)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC1=C(C(=O)CCC=C1OC)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C14H15O2.C5H5.Fe/c1-10-13(16-2)9-5-8-12(15)14(10)11-6-3-4-7-11;1-2-4-5-3-1;/h3-4,6-7,9H,5,8H2,1-2H3;1-5H;/q;;+2