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

Systemtic Name: cyclopentane; (2E)-2-(cyclopentylmethylidene)-3,4-dihydronaphthalen-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; (2E)-2-(cyclopentylmethylene)tetralin-1-one CAS Name: cyclopentane; (2E)-2-(cyclopentylmethylidene)-3,4-dihydronaphthalen-1-one; iron(2+) IUPAC Name: cyclopentane; (2E)-2-(cyclopentylmethylidene)-3,4-dihydronaphthalen-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; (2E)-2-(cyclopentylmethylene)tetralin-1-one Formula: C21H18FeO+2 MolecularWeight: 342.21202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C[C]2[CH][CH][CH][CH]2)C(=O)C3=CC=CC=C31.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1C/C(=C\[C]2[CH][CH][CH][CH]2)/C(=O)C3=CC=CC=C31.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H13O.C5H5.Fe/c17-16-14(11-12-5-1-2-6-12)10-9-13-7-3-4-8-15(13)16;1-2-4-5-3-1;/h1-8,11H,9-10H2;1-5H;/q;;+2