[3-azanyl-4,4-bis(oxidanyl)butan-2-yl] octanoate

Systemtic Name: [3-azanyl-4,4-bis(oxidanyl)butan-2-yl] octanoate Openeye Name: (2-amino-3,3-dihydroxy-1-methyl-propyl) octanoate CAS Name: octanoic acid (3-amino-4,4-dihydroxybutan-2-yl) ester IUPAC Name: (3-amino-4,4-dihydroxybutan-2-yl) octanoate Traditional Name: caprylic acid (2-amino-3,3-dihydroxy-1-methyl-propyl) ester Formula: C12H25NO4 MolecularWeight: 247.3312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)C(C(O)O)N

Isomeric SMILES

CCCCCCCC(=O)OC(C)C(C(O)O)N

InChI

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