2-methanidylpropane; (E)-octadec-9-ene; zirconium(4+)

Systemtic Name: 2-methanidylpropane; (E)-octadec-9-ene; zirconium(4+) Openeye Name: 2-methanidylpropane; (E)-octadec-9-ene; zirconium(4+) CAS Name: 2-methanidylpropane; (E)-9-octadecene; zirconium(4+) IUPAC Name: 2-methanidylpropane; (E)-octadec-9-ene; zirconium(4+) Traditional Name: 2-methanidylpropane; (E)-octadec-9-ene; zirconium(4+) Formula: C58H114Zr MolecularWeight: 902.74976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC[CH2-].CCCCCCCCC=CCCCCCCC[CH2-].CCCCCCCCC=CCCCCCCC[CH2-].CC(C)[CH2-].[Zr+4]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC[CH2-].CCCCCCCC/C=C/CCCCCCC[CH2-].CCCCCCCC/C=C/CCCCCCC[CH2-].CC([CH2-])C.[Zr+4]

InChI

InChI=1S/3C18H35.C4H9.Zr/c3*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-4(2)3;/h3*17-18H,1,3-16H2,2H3;4H,1H2,2-3H3;/q4*-1;+4/b3*18-17+;;