(9E,12E,15E)-octadeca-9,12,15-trienoate; oxidanylidenezirconium(2+)

Systemtic Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; oxidanylidenezirconium(2+) Openeye Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; oxozirconium(2+) CAS Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; oxozirconium(2+) IUPAC Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; oxozirconium(2+) Traditional Name: ketozirconium(2+); (9E,12E,15E)-octadeca-9,12,15-trienoate Formula: C36H58O5Zr MolecularWeight: 662.06672

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCC(=O)[O-].CCC=CCC=CCC=CCCCCCCCC(=O)[O-].O=[Zr+2]

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)[O-].CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)[O-].O=[Zr+2]

InChI

InChI=1S/2C18H30O2.O.Zr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);;/q;;;+2/p-2/b2*4-3+,7-6+,10-9+;;