16-methylheptadecan-1-one; (E)-octadec-9-ene; zirconium(3+)

Systemtic Name: 16-methylheptadecan-1-one; (E)-octadec-9-ene; zirconium(3+) Openeye Name: 16-methylheptadecan-1-one; (E)-octadec-9-ene; zirconium(3+) CAS Name: 16-methyl-1-heptadecanone; (E)-9-octadecene; zirconium(3+) IUPAC Name: 16-methylheptadecan-1-one; (E)-octadec-9-ene; zirconium(3+) Traditional Name: 16-methylheptadecan-1-one; (E)-octadec-9-ene; zirconium(3+) Formula: C54H105O2Zr MolecularWeight: 877.6343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC[CH2-].CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)CCCCCCCCCCCCCC[C-]=O.[Zr+3]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC[CH2-].CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)CCCCCCCCCCCCCC[C-]=O.[Zr+3]

InChI

InChI=1S/2C18H35O.C18H35.Zr/c2*1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h2*18H,3-16H2,1-2H3;17-18H,1,3-16H2,2H3;/q3*-1;+3/b;;18-17+;