4-methylbenzenesulfonate; 3-methyl-2,5-diphenyl-1,3-oxazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 3-methyl-2,5-diphenyl-1,3-oxazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-methyl-2,5-diphenyl-oxazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-methyl-2,5-diphenyloxazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-methyl-2,5-diphenyl-1,3-oxazol-3-ium Traditional Name: 3-methyl-2,5-diphenyl-oxazol-3-ium tosylate Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H14NO.C7H8O3S/c1-17-12-15(13-8-4-2-5-9-13)18-16(17)14-10-6-3-7-11-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1