2-azaniumylethyl-[2-(2-azaniumylethylazaniumyl)ethyl]azanium tetraphosphate

Systemtic Name: 2-azaniumylethyl-[2-(2-azaniumylethylazaniumyl)ethyl]azanium tetraphosphate Openeye Name: 2-azaniumylethyl-[2-(2-azaniumylethylammonio)ethyl]ammonium tetraphosphate CAS Name: 2-ammonioethyl-[2-(2-ammonioethylammonio)ethyl]ammonium tetraphosphate IUPAC Name: 2-azaniumylethyl-[2-(2-azaniumylethylazaniumyl)ethyl]azanium tetraphosphate Traditional Name: 2-ammonioethyl-[2-(2-ammonioethylammonio)ethyl]ammonium tetraphosphate Formula: C18H66N12O16P4 MolecularWeight: 830.682484

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Descriptors Computed from Structure

Canonical SMILES:

C(C[NH2+]CC[NH2+]CC[NH3+])[NH3+].C(C[NH2+]CC[NH2+]CC[NH3+])[NH3+].C(C[NH2+]CC[NH2+]CC[NH3+])[NH3+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

C(C[NH2+]CC[NH2+]CC[NH3+])[NH3+].C(C[NH2+]CC[NH2+]CC[NH3+])[NH3+].C(C[NH2+]CC[NH2+]CC[NH3+])[NH3+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/3C6H18N4.4H3O4P/c3*7-1-3-9-5-6-10-4-2-8;4*1-5(2,3)4/h3*9-10H,1-8H2;4*(H3,1,2,3,4)