[2-methyl-6-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-6-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methyl-6-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-6-(5-methyl-1,3-benzoxazol-2-yl)phenyl] ester IUPAC Name: [2-methyl-6-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methyl-6-(5-methyl-1,3-benzoxazol-2-yl)phenyl] ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2C)C3=NC4=C(O3)C=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2C)C3=NC4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C22H19NO4S/c1-14-7-10-17(11-8-14)28(24,25)27-21-16(3)5-4-6-18(21)22-23-19-13-15(2)9-12-20(19)26-22/h4-13H,1-3H3