icosane; methane; diphosphate; hydrate

Systemtic Name: icosane; methane; diphosphate; hydrate Openeye Name: icosane; methane; diphosphate; hydrate CAS Name: eicosane; methane; diphosphate; hydrate IUPAC Name: icosane; methane; diphosphate; hydrate Traditional Name: eicosane; methane; diphosphate; hydrate Formula: C21H48O9P2-6 MolecularWeight: 506.547942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H42.CH4.2H3O4P.H2O/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;2*1-5(2,3)4;/h3-20H2,1-2H3;1H4;2*(H3,1,2,3,4);1H2/p-6