disodium 4-[[2-butyl-4-chloranyl-5-(2-oxidanidyl-2-oxidanylidene-ethyl)imidazol-1-yl]methyl]benzoate

Systemtic Name: disodium 4-[[2-butyl-4-chloranyl-5-(2-oxidanidyl-2-oxidanylidene-ethyl)imidazol-1-yl]methyl]benzoate Openeye Name: disodium 4-[[2-butyl-4-chloro-5-(2-oxido-2-oxo-ethyl)imidazol-1-yl]methyl]benzoate CAS Name: disodium 4-[[2-butyl-4-chloro-5-(2-oxido-2-oxoethyl)-1-imidazolyl]methyl]benzoate IUPAC Name: disodium 4-[[2-butyl-4-chloro-5-(2-oxido-2-oxoethyl)imidazol-1-yl]methyl]benzoate Traditional Name: disodium 4-[[2-butyl-4-chloro-5-(2-keto-2-oxido-ethyl)imidazol-1-yl]methyl]benzoate Formula: C17H17ClN2Na2O4 MolecularWeight: 394.76042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)[O-])CC(=O)[O-])Cl.[Na+].[Na+]

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)[O-])CC(=O)[O-])Cl.[Na+].[Na+]

InChI

InChI=1S/C17H19ClN2O4.2Na/c1-2-3-4-14-19-16(18)13(9-15(21)22)20(14)10-11-5-7-12(8-6-11)17(23)24;;/h5-8H,2-4,9-10H2,1H3,(H,21,22)(H,23,24);;/q;2*+1/p-2