hexadecanoate; propan-2-olate; zirconium(4+)

Systemtic Name: hexadecanoate; propan-2-olate; zirconium(4+) Openeye Name: hexadecanoate; propan-2-olate; zirconium(4+) CAS Name: hexadecanoate; 2-propanolate; zirconium(4+) IUPAC Name: hexadecanoate; propan-2-olate; zirconium(4+) Traditional Name: palmitate; propan-2-olate; zirconium(4+) Formula: C38H76O6Zr MolecularWeight: 720.23044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CC(C)[O-].CC(C)[O-].[Zr+4]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CC(C)[O-].CC(C)[O-].[Zr+4]

InChI

InChI=1S/2C16H32O2.2C3H7O.Zr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2*1-3(2)4;/h2*2-15H2,1H3,(H,17,18);2*3H,1-2H3;/q;;2*-1;+4/p-2