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

Systemtic Name: [2-(1,3-benzoxazol-2-yl)-4-methyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(1,3-benzoxazol-2-yl)-4-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1,3-benzoxazol-2-yl)-4-methylphenyl] ester IUPAC Name: [2-(1,3-benzoxazol-2-yl)-4-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1,3-benzoxazol-2-yl)-4-methyl-phenyl] ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H17NO4S/c1-14-7-10-16(11-8-14)27(23,24)26-19-12-9-15(2)13-17(19)21-22-18-5-3-4-6-20(18)25-21/h3-13H,1-2H3