tert-butyl-[(Z)-4-(oxidanylidenemethyl)hex-3-en-3-yl]azanide; cyclopentane; zirconium(4+)

Systemtic Name: tert-butyl-[(Z)-4-(oxidanylidenemethyl)hex-3-en-3-yl]azanide; cyclopentane; zirconium(4+) Openeye Name: tert-butyl-[(Z)-1-ethyl-2-(oxomethyl)but-1-enyl]azanide; cyclopentane; zirconium(4+) CAS Name: tert-butyl-[(Z)-4-(oxomethyl)hex-3-en-3-yl]azanide; cyclopentane; zirconium(4+) IUPAC Name: tert-butyl-[(Z)-4-(oxomethyl)hex-3-en-3-yl]azanide; cyclopentane; zirconium(4+) Traditional Name: tert-butyl-[(Z)-1-ethyl-2-(ketomethyl)but-1-enyl]azanide; cyclopentane; zirconium(4+) Formula: C21H29NOZr+2 MolecularWeight: 402.68506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(CC)[N-]C(C)(C)C)[C-]=O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

Isomeric SMILES

CC/C(=C(\CC)/[N-]C(C)(C)C)/[C-]=O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C11H19NO.2C5H5.Zr/c1-6-9(8-13)10(7-2)12-11(3,4)5;2*1-2-4-5-3-1;/h6-7H2,1-5H3;2*1-5H;/q-2;;;+4/b10-9-;;;