ethyl 2-[3,4,5-tris(bromanyl)pyrazol-1-yl]dodecanoate

Systemtic Name: ethyl 2-[3,4,5-tris(bromanyl)pyrazol-1-yl]dodecanoate Openeye Name: ethyl 2-(3,4,5-tribromopyrazol-1-yl)dodecanoate CAS Name: 2-(3,4,5-tribromo-1-pyrazolyl)dodecanoic acid ethyl ester IUPAC Name: ethyl 2-(3,4,5-tribromopyrazol-1-yl)dodecanoate Traditional Name: 2-(3,4,5-tribromopyrazol-1-yl)lauric acid ethyl ester Formula: C17H27Br3N2O2 MolecularWeight: 531.12048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)OCC)N1C(=C(C(=N1)Br)Br)Br

Isomeric SMILES

CCCCCCCCCCC(C(=O)OCC)N1C(=C(C(=N1)Br)Br)Br

InChI

InChI=1S/C17H27Br3N2O2/c1-3-5-6-7-8-9-10-11-12-13(17(23)24-4-2)22-16(20)14(18)15(19)21-22/h13H,3-12H2,1-2H3