butane; [1-carboxylatooxy-3-(methylamino)propan-2-yl] carbonate; hydrochloride

Systemtic Name: butane; [1-carboxylatooxy-3-(methylamino)propan-2-yl] carbonate; hydrochloride Openeye Name: butane; [2-carboxylatooxy-3-(methylamino)propyl] carbonate; hydrochloride CAS Name: butane; [1-carboxylatooxy-3-(methylamino)propan-2-yl] carbonate; hydrochloride IUPAC Name: butane; [1-carboxylatooxy-3-(methylamino)propan-2-yl] carbonate; hydrochloride Traditional Name: [2-carboxylatooxy-3-(methylamino)propyl] carbonate; n-butane; hydrochloride Formula: C10H20ClNO6-2 MolecularWeight: 285.7219

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CNCC(COC(=O)[O-])OC(=O)[O-].Cl

Isomeric SMILES

CCCC.CNCC(COC(=O)[O-])OC(=O)[O-].Cl

InChI

InChI=1S/C6H11NO6.C4H10.ClH/c1-7-2-4(13-6(10)11)3-12-5(8)9;1-3-4-2;/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11);3-4H2,1-2H3;1H/p-2