2,3-dimethyl-5-phenyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 2,3-dimethyl-5-phenyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 2,3-dimethyl-5-phenyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate CAS Name: 2,3-dimethyl-5-phenyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 2,3-dimethyl-5-phenyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 2,3-dimethyl-5-phenyl-1,3-benzoxazol-3-ium tosylate Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C15H14NO.C7H8O3S/c1-11-16(2)14-10-13(8-9-15(14)17-11)12-6-4-3-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1