[5-methoxy-2-(phenylcarbonyl)phenyl] 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate

Systemtic Name: [5-methoxy-2-(phenylcarbonyl)phenyl] 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: (2-benzoyl-5-methoxy-phenyl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonic acid (2-benzoyl-5-methoxyphenyl) ester IUPAC Name: (2-benzoyl-5-methoxyphenyl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid (2-benzoyl-5-methoxy-phenyl) ester Formula: C22H17NO7S MolecularWeight: 439.43788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)OC3=C(C=CC(=C3)OC)C(=O)C4=CC=CC=C4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)OC3=C(C=CC(=C3)OC)C(=O)C4=CC=CC=C4)OC1=O

InChI

InChI=1S/C22H17NO7S/c1-23-18-11-9-16(13-20(18)29-22(23)25)31(26,27)30-19-12-15(28-2)8-10-17(19)21(24)14-6-4-3-5-7-14/h3-13H,1-2H3