(2-methyl-5-propan-2-yl-phenyl) 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate

Systemtic Name: (2-methyl-5-propan-2-yl-phenyl) 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: (5-isopropyl-2-methyl-phenyl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonic acid (2-methyl-5-propan-2-ylphenyl) ester IUPAC Name: (2-methyl-5-propan-2-ylphenyl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid (5-isopropyl-2-methyl-phenyl) ester Formula: C18H19NO5S MolecularWeight: 361.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

InChI

InChI=1S/C18H19NO5S/c1-11(2)13-6-5-12(3)16(9-13)24-25(21,22)14-7-8-15-17(10-14)23-18(20)19(15)4/h5-11H,1-4H3