methyl carbonate; [3-octanoyloxy-1,1-bis(oxidanyl)butan-2-yl]azanium

Systemtic Name: methyl carbonate; [3-octanoyloxy-1,1-bis(oxidanyl)butan-2-yl]azanium Openeye Name: [1-(dihydroxymethyl)-2-octanoyloxy-propyl]ammonium; methyl carbonate CAS Name: [1,1-dihydroxy-3-(1-oxooctoxy)butan-2-yl]ammonium; methyl carbonate IUPAC Name: (1,1-dihydroxy-3-octanoyloxybutan-2-yl)azanium; methyl carbonate Traditional Name: [2-caprylyloxy-1-(dihydroxymethyl)propyl]ammonium; methyl carbonate Formula: C14H29NO7 MolecularWeight: 323.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)C(C(O)O)[NH3+].COC(=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)OC(C)C(C(O)O)[NH3+].COC(=O)[O-]

InChI

InChI=1S/C12H25NO4.C2H4O3/c1-3-4-5-6-7-8-10(14)17-9(2)11(13)12(15)16;1-5-2(3)4/h9,11-12,15-16H,3-8,13H2,1-2H3;1H3,(H,3,4)