7-methyloctanoic acid; oxidanylidenezirconium

Systemtic Name: 7-methyloctanoic acid; oxidanylidenezirconium Openeye Name: 7-methyloctanoic acid; oxozirconium CAS Name: 7-methyloctanoic acid; oxozirconium IUPAC Name: 7-methyloctanoic acid; oxozirconium Traditional Name: ketozirconium; 7-methylcaprylic acid Formula: C18H36O5Zr MolecularWeight: 423.69944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)O.CC(C)CCCCCC(=O)O.O=[Zr]

Isomeric SMILES

CC(C)CCCCCC(=O)O.CC(C)CCCCCC(=O)O.O=[Zr]

InChI

InChI=1S/2C9H18O2.O.Zr/c2*1-8(2)6-4-3-5-7-9(10)11;;/h2*8H,3-7H2,1-2H3,(H,10,11);;