ethyl (E)-2-[3,4,5-tris(bromanyl)pyrazol-1-yl]dodec-9-enoate

Systemtic Name: ethyl (E)-2-[3,4,5-tris(bromanyl)pyrazol-1-yl]dodec-9-enoate Openeye Name: ethyl (E)-2-(3,4,5-tribromopyrazol-1-yl)dodec-9-enoate CAS Name: (E)-2-(3,4,5-tribromo-1-pyrazolyl)-9-dodecenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(3,4,5-tribromopyrazol-1-yl)dodec-9-enoate Traditional Name: (E)-2-(3,4,5-tribromopyrazol-1-yl)dodec-9-enoic acid ethyl ester Formula: C17H25Br3N2O2 MolecularWeight: 529.1046

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCCCCC(C(=O)OCC)N1C(=C(C(=N1)Br)Br)Br

Isomeric SMILES

CC/C=C/CCCCCCC(C(=O)OCC)N1C(=C(C(=N1)Br)Br)Br

InChI

InChI=1S/C17H25Br3N2O2/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/h5-6,13H,3-4,7-12H2,1-2H3/b6-5+