dicalcium octadecanoate phosphate

Systemtic Name: dicalcium octadecanoate phosphate Openeye Name: dicalcium octadecanoate phosphate CAS Name: dicalcium octadecanoate phosphate IUPAC Name: dicalcium octadecanoate phosphate Traditional Name: dicalcium stearate phosphate Formula: C18H35Ca2O6P MolecularWeight: 458.596661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2]

InChI

InChI=1S/C18H36O2.2Ca.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;1-5(2,3)4/h2-17H2,1H3,(H,19,20);;;(H3,1,2,3,4)/q;2*+2;/p-4