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

Systemtic Name: [4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] ester IUPAC Name: [4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] ester Formula: C21H16FNO4S MolecularWeight: 397.419443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3=NC4=C(O3)C=CC(=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C3=NC4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C21H16FNO4S/c1-13-3-9-19(27-28(24,25)16-7-5-15(22)6-8-16)17(11-13)21-23-18-12-14(2)4-10-20(18)26-21/h3-12H,1-2H3