2-(5-dodecyl-1,2,3,4-tetrazol-2-yl)-2-phenyl-ethanoate

Systemtic Name: 2-(5-dodecyl-1,2,3,4-tetrazol-2-yl)-2-phenyl-ethanoate Openeye Name: 2-(5-dodecyltetrazol-2-yl)-2-phenyl-acetate CAS Name: 2-(5-dodecyl-2-tetrazolyl)-2-phenylacetate IUPAC Name: 2-(5-dodecyltetrazol-2-yl)-2-phenylacetate Traditional Name: 2-(5-lauryltetrazol-2-yl)-2-phenyl-acetate Formula: C21H31N4O2- MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NN(N=N1)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=NN(N=N1)C(C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C21H32N4O2/c1-2-3-4-5-6-7-8-9-10-14-17-19-22-24-25(23-19)20(21(26)27)18-15-12-11-13-16-18/h11-13,15-16,20H,2-10,14,17H2,1H3,(H,26,27)/p-1