barium(2+); dodecanoyl dodecanoate; diphosphate

Systemtic Name: barium(2+); dodecanoyl dodecanoate; diphosphate Openeye Name: barium(2+); dodecanoyl dodecanoate; diphosphate CAS Name: barium(2+); dodecanoic acid 1-oxododecyl ester; diphosphate IUPAC Name: barium(2+); dodecanoyl dodecanoate; diphosphate Traditional Name: barium(2+); lauric acid lauroyl ester; diphosphate Formula: C24H46Ba3O11P2 MolecularWeight: 984.543962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ba+2].[Ba+2].[Ba+2]

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ba+2].[Ba+2].[Ba+2]

InChI

InChI=1S/C24H46O3.3Ba.2H3O4P/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2;;;;2*1-5(2,3)4/h3-22H2,1-2H3;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6