sodium 4-[4-chloranyl-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[4-chloranyl-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonate CAS Name: sodium 4-[4-chloro-5-(4-ethoxyphenyl)-1-imidazolyl]benzenesulfonate IUPAC Name: sodium 4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonate Traditional Name: sodium 4-(4-chloro-5-p-phenetyl-imidazol-1-yl)besylate Formula: C17H14ClN2NaO4S MolecularWeight: 400.81183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C17H15ClN2O4S.Na/c1-2-24-14-7-3-12(4-8-14)16-17(18)19-11-20(16)13-5-9-15(10-6-13)25(21,22)23;/h3-11H,2H2,1H3,(H,21,22,23);/q;+1/p-1