methyl 4-[[2-butyl-5-[chloranyl(tritio)methyl]-4-tritio-imidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-butyl-5-[chloranyl(tritio)methyl]-4-tritio-imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-butyl-5-[chloro(tritio)methyl]-4-tritio-imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[chloro(tritio)methyl]-4-tritio-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-butyl-5-[chloro(tritio)methyl]-4-tritioimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-[chloro(tritio)methyl]-4-tritio-imidazol-1-yl]methyl]benzoic acid methyl ester Formula: C17H21ClN2O2 MolecularWeight: 324.830059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)CCl

Isomeric SMILES

[3H]C1=C(N(C(=N1)CCCC)CC2=CC=C(C=C2)C(=O)OC)C([3H])Cl

InChI

InChI=1S/C17H21ClN2O2/c1-3-4-5-16-19-11-15(10-18)20(16)12-13-6-8-14(9-7-13)17(21)22-2/h6-9,11H,3-5,10,12H2,1-2H3/i10T,11T