5-chloranyl-2-methyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 5-chloranyl-2-methyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 5-chloro-2-methyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate CAS Name: 5-chloro-2-methyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 5-chloro-2-methyl-1,3-benzoxazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 5-chloro-2-methyl-1,3-benzoxazol-3-ium tosylate Formula: C15H14ClNO4S MolecularWeight: 339.79396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6ClNO.C7H8O3S/c1-5-10-7-4-6(9)2-3-8(7)11-5;1-6-2-4-7(5-3-6)11(8,9)10/h2-4H,1H3;2-5H,1H3,(H,8,9,10)