tricalcium octadecanoate disulfate

Systemtic Name: tricalcium octadecanoate disulfate Openeye Name: tricalcium octadecanoate disulfate CAS Name: tricalcium octadecanoate disulfate IUPAC Name: tricalcium octadecanoate disulfate Traditional Name: tricalcium stearate disulfate Formula: C36H70Ca3O12S2 MolecularWeight: 879.2978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H36O2.3Ca.2H2O4S/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;2*1-5(2,3)4/h2*2-17H2,1H3,(H,19,20);;;;2*(H2,1,2,3,4)/q;;3*+2;;/p-6