trisodium 1,2-bis(azanyl)icosan-3-one triethanoate

Systemtic Name: trisodium 1,2-bis(azanyl)icosan-3-one triethanoate Openeye Name: trisodium 1,2-diaminoicosan-3-one triacetate CAS Name: trisodium 1,2-diamino-3-eicosanone triacetate IUPAC Name: trisodium 1,2-diaminoicosan-3-one triacetate Traditional Name: trisodium 1,2-diaminoeicosan-3-one triacetate Formula: C26H51N2Na3O7 MolecularWeight: 572.66165

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CN)N.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CN)N.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H42N2O.3C2H4O2.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(22)18-21;3*1-2(3)4;;;/h19H,2-18,21-22H2,1H3;3*1H3,(H,3,4);;;/q;;;;3*+1/p-3