sodium 4-[4-chloranyl-5-(3-chloranyl-4-methoxy-phenyl)imidazol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[4-chloranyl-5-(3-chloranyl-4-methoxy-phenyl)imidazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[4-chloro-5-(3-chloro-4-methoxy-phenyl)imidazol-1-yl]benzenesulfonate CAS Name: sodium 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)-1-imidazolyl]benzenesulfonate IUPAC Name: sodium 4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[4-chloro-5-(3-chloro-4-methoxy-phenyl)imidazol-1-yl]besylate Formula: C16H11Cl2N2NaO4S MolecularWeight: 421.23031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)[O-])Cl)Cl.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)[O-])Cl)Cl.[Na+]

InChI

InChI=1S/C16H12Cl2N2O4S.Na/c1-24-14-7-2-10(8-13(14)17)15-16(18)19-9-20(15)11-3-5-12(6-4-11)25(21,22)23;/h2-9H,1H3,(H,21,22,23);/q;+1/p-1