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

Systemtic Name: [5-chloranyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [5-chloro-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-chloro-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] ester IUPAC Name: [5-chloro-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-chloro-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

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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=C(O3)C=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)Cl)C3=NC4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C21H16ClNO4S/c1-13-3-7-16(8-4-13)28(24,25)27-20-12-15(22)6-9-17(20)21-23-18-11-14(2)5-10-19(18)26-21/h3-12H,1-2H3