hydrogen sulfate; 3-methyl-2-methylsulfanyl-1,3-benzoxazol-3-ium

Systemtic Name: hydrogen sulfate; 3-methyl-2-methylsulfanyl-1,3-benzoxazol-3-ium Openeye Name: hydrogen sulfate; 3-methyl-2-methylsulfanyl-1,3-benzoxazol-3-ium CAS Name: hydrogen sulfate; 3-methyl-2-(methylthio)-1,3-benzoxazol-3-ium IUPAC Name: hydrogen sulfate; 3-methyl-2-methylsulfanyl-1,3-benzoxazol-3-ium Traditional Name: 3-methyl-2-(methylthio)-1,3-benzoxazol-3-ium bisulfate Formula: C9H11NO5S2 MolecularWeight: 277.31734

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OC2=CC=CC=C21)SC.OS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(OC2=CC=CC=C21)SC.OS(=O)(=O)[O-]

InChI

InChI=1S/C9H10NOS.H2O4S/c1-10-7-5-3-4-6-8(7)11-9(10)12-2;1-5(2,3)4/h3-6H,1-2H3;(H2,1,2,3,4)/q+1;/p-1