1-azacyclotridecan-2-one; cyclopentane; zirconium(2+)

Systemtic Name: 1-azacyclotridecan-2-one; cyclopentane; zirconium(2+) Openeye Name: azacyclotridecan-2-one; cyclopentane; zirconium(2+) CAS Name: azacyclotridecan-2-one; cyclopentane; zirconium(2+) IUPAC Name: azacyclotridecan-2-one; cyclopentane; zirconium(2+) Traditional Name: azacyclotridecan-2-one; cyclopentane; zirconium(2+) Formula: C22H33NOZr+2 MolecularWeight: 418.72752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=O)NCCCCC1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

Isomeric SMILES

C1CCCCCC(=O)NCCCCC1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]

InChI

InChI=1S/C12H23NO.2C5H5.Zr/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12;2*1-2-4-5-3-1;/h1-11H2,(H,13,14);2*1-5H;/q;;;+2