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

Systemtic Name: [2-chloranyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-chloro-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-chloro-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl] ester IUPAC Name: [2-chloro-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-chloro-4-(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=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C)Cl

Isomeric SMILES

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

InChI

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