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

Systemtic Name: [2-(1,3-benzoxazol-2-yl)-5-chloranyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(1,3-benzoxazol-2-yl)-5-chloro-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1,3-benzoxazol-2-yl)-5-chlorophenyl] ester IUPAC Name: [2-(1,3-benzoxazol-2-yl)-5-chlorophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1,3-benzoxazol-2-yl)-5-chloro-phenyl] ester Formula: C20H14ClNO4S MolecularWeight: 399.84746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClNO4S/c1-13-6-9-15(10-7-13)27(23,24)26-19-12-14(21)8-11-16(19)20-22-17-4-2-3-5-18(17)25-20/h2-12H,1H3