cyclopentane; (2E)-2-(cyclopentylmethylidene)-5,7-dimethoxy-3,4-dihydronaphthalen-1-one; iron(2+)

Systemtic Name: cyclopentane; (2E)-2-(cyclopentylmethylidene)-5,7-dimethoxy-3,4-dihydronaphthalen-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; (2E)-2-(cyclopentylmethylene)-5,7-dimethoxy-tetralin-1-one CAS Name: cyclopentane; (2E)-2-(cyclopentylmethylidene)-5,7-dimethoxy-3,4-dihydronaphthalen-1-one; iron(2+) IUPAC Name: cyclopentane; (2E)-2-(cyclopentylmethylidene)-5,7-dimethoxy-3,4-dihydronaphthalen-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; (2E)-2-(cyclopentylmethylene)-5,7-dimethoxy-tetralin-1-one Formula: C23H22FeO3+2 MolecularWeight: 402.26398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CCC(=C[C]3[CH][CH][CH][CH]3)C(=O)C2=C1)OC.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC1=CC(=C2CC/C(=C\[C]3[CH][CH][CH][CH]3)/C(=O)C2=C1)OC.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C18H17O3.C5H5.Fe/c1-20-14-10-16-15(17(11-14)21-2)8-7-13(18(16)19)9-12-5-3-4-6-12;1-2-4-5-3-1;/h3-6,9-11H,7-8H2,1-2H3;1-5H;/q;;+2