heptane; methane; diphosphate; hydrate

Systemtic Name: heptane; methane; diphosphate; hydrate Openeye Name: heptane; methane; diphosphate; hydrate CAS Name: heptane; methane; diphosphate; hydrate IUPAC Name: heptane; methane; diphosphate; hydrate Traditional Name: methane; n-heptane; diphosphate; hydrate Formula: C8H22O9P2-6 MolecularWeight: 324.202402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CCCCCCC.O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C.CCCCCCC.O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C7H16.CH4.2H3O4P.H2O/c1-3-5-7-6-4-2;;2*1-5(2,3)4;/h3-7H2,1-2H3;1H4;2*(H3,1,2,3,4);1H2/p-6