3-[22-(3-azaniumylpropoxy)-22-oxidanylidene-docosanoyl]oxypropylazanium dimethanoate

Systemtic Name: 3-[22-(3-azaniumylpropoxy)-22-oxidanylidene-docosanoyl]oxypropylazanium dimethanoate Openeye Name: 3-[22-(3-azaniumylpropoxy)-22-oxo-docosanoyl]oxypropylammonium diformate CAS Name: 3-[22-(3-ammoniopropoxy)-1,22-dioxodocosoxy]propylammonium diformate IUPAC Name: 3-[22-(3-azaniumylpropoxy)-22-oxodocosanoyl]oxypropylazanium diformate Traditional Name: 3-[22-(3-ammoniopropoxy)-22-keto-docosanoyl]oxypropylammonium diformate Formula: C30H60N2O8 MolecularWeight: 576.806

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCCC(=O)OCCC[NH3+])CCCCCCCCCC(=O)OCCC[NH3+].C(=O)[O-].C(=O)[O-]

Isomeric SMILES

C(CCCCCCCCCCC(=O)OCCC[NH3+])CCCCCCCCCC(=O)OCCC[NH3+].C(=O)[O-].C(=O)[O-]

InChI

InChI=1S/C28H56N2O4.2CH2O2/c29-23-19-25-33-27(31)21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22-28(32)34-26-20-24-30;2*2-1-3/h1-26,29-30H2;2*1H,(H,2,3)