4-methylbenzenesulfonate; 6-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-c]pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 6-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-c]pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 6-methyl-2-methylsulfanyl-oxazolo[5,4-c]pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 6-methyl-2-(methylthio)oxazolo[5,4-c]pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 6-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-c]pyridin-1-ium Traditional Name: 6-methyl-2-(methylthio)oxazolo[5,4-c]pyridin-1-ium tosylate Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=NC=C2C(=C1)[NH+]=C(O2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=NC=C2C(=C1)[NH+]=C(O2)SC

InChI

InChI=1S/C8H8N2OS.C7H8O3S/c1-5-3-6-7(4-9-5)11-8(10-6)12-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-4H,1-2H3;2-5H,1H3,(H,8,9,10)