methyl carbonate; [4-octanoyloxy-1,1-bis(oxidanyl)pentan-2-yl]azanium

Systemtic Name: methyl carbonate; [4-octanoyloxy-1,1-bis(oxidanyl)pentan-2-yl]azanium Openeye Name: [1-(dihydroxymethyl)-3-octanoyloxy-butyl]ammonium; methyl carbonate CAS Name: [1,1-dihydroxy-4-(1-oxooctoxy)pentan-2-yl]ammonium; methyl carbonate IUPAC Name: (1,1-dihydroxy-4-octanoyloxypentan-2-yl)azanium; methyl carbonate Traditional Name: [3-caprylyloxy-1-(dihydroxymethyl)butyl]ammonium; methyl carbonate Formula: C15H31NO7 MolecularWeight: 337.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27NO4.C2H4O3/c1-3-4-5-6-7-8-12(15)18-10(2)9-11(14)13(16)17;1-5-2(3)4/h10-11,13,16-17H,3-9,14H2,1-2H3;1H3,(H,3,4)