diazanium 6-[5,6-dimethyl-6-(6-oxidanidyl-6-oxidanylidene-hexanoyl)oxy-heptoxy]-6-oxidanylidene-hexanoate

Systemtic Name: diazanium 6-[5,6-dimethyl-6-(6-oxidanidyl-6-oxidanylidene-hexanoyl)oxy-heptoxy]-6-oxidanylidene-hexanoate Openeye Name: diammonium 6-[5,6-dimethyl-6-(6-oxido-6-oxo-hexanoyl)oxy-heptoxy]-6-oxo-hexanoate CAS Name: diammonium 6-[5,6-dimethyl-6-(6-oxido-1,6-dioxohexoxy)heptoxy]-6-oxohexanoate IUPAC Name: diazanium 6-[5,6-dimethyl-6-(6-oxido-6-oxohexanoyl)oxyheptoxy]-6-oxohexanoate Traditional Name: diammonium 6-keto-6-[6-(6-keto-6-oxido-hexanoyl)oxy-5,6-dimethyl-heptoxy]hexanoate Formula: C21H42N2O8 MolecularWeight: 450.56678

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCOC(=O)CCCCC(=O)[O-])C(C)(C)OC(=O)CCCCC(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

CC(CCCCOC(=O)CCCCC(=O)[O-])C(C)(C)OC(=O)CCCCC(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C21H36O8.2H3N/c1-16(21(2,3)29-20(27)14-7-5-12-18(24)25)10-8-9-15-28-19(26)13-6-4-11-17(22)23;;/h16H,4-15H2,1-3H3,(H,22,23)(H,24,25);2*1H3