[4-chloranyl-2-(phenylmethyl)phenyl] 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: (2-benzyl-4-chloro-phenyl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid (2-benzyl-4-chloro-phenyl) ester Formula: C21H16ClNO5S MolecularWeight: 429.87344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)OC3=C(C=C(C=C3)Cl)CC4=CC=CC=C4)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)OC3=C(C=C(C=C3)Cl)CC4=CC=CC=C4)OC1=O

InChI

InChI=1S/C21H16ClNO5S/c1-23-18-9-8-17(13-20(18)27-21(23)24)29(25,26)28-19-10-7-16(22)12-15(19)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3