benzene; propane; tridecane; diphosphate

Systemtic Name: benzene; propane; tridecane; diphosphate Openeye Name: benzene; propane; tridecane; diphosphate CAS Name: benzene; propane; tridecane; diphosphate IUPAC Name: benzene; propane; tridecane; diphosphate Traditional Name: benzene; n-propane; tridecane; diphosphate Formula: C22H42O8P2-6 MolecularWeight: 496.511602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC.CCCCCCCCCCCCC.C1=CC=CC=C1.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCC.CCCCCCCCCCCCC.C1=CC=CC=C1.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C13H28.C6H6.C3H8.2H3O4P/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-4-6-5-3-1;1-3-2;2*1-5(2,3)4/h3-13H2,1-2H3;1-6H;3H2,1-2H3;2*(H3,1,2,3,4)/p-6