(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) 5-chloranyl-1-methyl-imidazole-4-sulfonate

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) 5-chloranyl-1-methyl-imidazole-4-sulfonate Openeye Name: (2-methyl-4-oxo-3-phenoxy-chromen-7-yl) 5-chloro-1-methyl-imidazole-4-sulfonate CAS Name: 5-chloro-1-methyl-4-imidazolesulfonic acid (2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenoxychromen-7-yl) 5-chloro-1-methylimidazole-4-sulfonate Traditional Name: 5-chloro-1-methyl-imidazole-4-sulfonic acid (4-keto-2-methyl-3-phenoxy-chromen-7-yl) ester Formula: C20H15ClN2O6S MolecularWeight: 446.8609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OS(=O)(=O)C3=C(N(C=N3)C)Cl)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OS(=O)(=O)C3=C(N(C=N3)C)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C20H15ClN2O6S/c1-12-18(28-13-6-4-3-5-7-13)17(24)15-9-8-14(10-16(15)27-12)29-30(25,26)20-19(21)23(2)11-22-20/h3-11H,1-2H3