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

Systemtic Name: [2-(1,3-benzoxazol-2-yl)-6-methyl-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-(1,3-benzoxazol-2-yl)-6-methyl-phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-(1,3-benzoxazol-2-yl)-6-methylphenyl] ester IUPAC Name: [2-(1,3-benzoxazol-2-yl)-6-methylphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-(1,3-benzoxazol-2-yl)-6-methyl-phenyl] ester Formula: C20H14FNO4S MolecularWeight: 383.392863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H14FNO4S/c1-13-5-4-6-16(20-22-17-7-2-3-8-18(17)25-20)19(13)26-27(23,24)15-11-9-14(21)10-12-15/h2-12H,1H3