ethane; henicosane; diphosphate; hydrate

Systemtic Name: ethane; henicosane; diphosphate; hydrate Openeye Name: ethane; henicosane; diphosphate; hydrate CAS Name: ethane; heneicosane; diphosphate; hydrate IUPAC Name: ethane; henicosane; diphosphate; hydrate Traditional Name: ethane; heneicosane; diphosphate; hydrate Formula: C23H52O9P2-6 MolecularWeight: 534.601102

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCCCCCCCCCCCCCCCCCCCC.O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC.CCCCCCCCCCCCCCCCCCCCC.O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C21H44.C2H6.2H3O4P.H2O/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-2;2*1-5(2,3)4;/h3-21H2,1-2H3;1-2H3;2*(H3,1,2,3,4);1H2/p-6