(3-azanylidene-1-oxidanidyl-1,2,4-benzotriazin-1-ium-4-yl) dodecanoate

Systemtic Name: (3-azanylidene-1-oxidanidyl-1,2,4-benzotriazin-1-ium-4-yl) dodecanoate Openeye Name: (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) dodecanoate CAS Name: dodecanoic acid (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) ester IUPAC Name: (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) dodecanoate Traditional Name: lauric acid (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) ester Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)ON1C2=CC=CC=C2[N+](=NC1=N)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)ON1C2=CC=CC=C2[N+](=NC1=N)[O-]

InChI

InChI=1S/C19H28N4O3/c1-2-3-4-5-6-7-8-9-10-15-18(24)26-22-16-13-11-12-14-17(16)23(25)21-19(22)20/h11-14,20H,2-10,15H2,1H3