(4-azanylidene-4-carboxylatooxy-butanoyl) carbonate; 3-hexadecoxypropane-1,2-diol

Systemtic Name: (4-azanylidene-4-carboxylatooxy-butanoyl) carbonate; 3-hexadecoxypropane-1,2-diol Openeye Name: (4-carboxylatooxy-4-imino-butanoyl) carbonate; 3-hexadecoxypropane-1,2-diol CAS Name: (4-carboxylatooxy-1-imino-4-oxobutyl) carbonate; 3-hexadecoxypropane-1,2-diol IUPAC Name: (4-carboxylatooxy-4-iminobutanoyl) carbonate; 3-hexadecoxypropane-1,2-diol Traditional Name: (4-carboxylatooxy-4-imino-butanoyl) carbonate; 3-cetyloxypropane-1,2-diol Formula: C25H45NO10-2 MolecularWeight: 519.6255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CO)O.C(CC(=O)OC(=O)[O-])C(=N)OC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CO)O.C(CC(=O)OC(=O)[O-])C(=N)OC(=O)[O-]

InChI

InChI=1S/C19H40O3.C6H7NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20;7-3(13-5(9)10)1-2-4(8)14-6(11)12/h19-21H,2-18H2,1H3;7H,1-2H2,(H,9,10)(H,11,12)/p-2