3-ethyl-2-methyl-1,3-benzoxazol-3-ium; ethyl sulfate

Systemtic Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium; ethyl sulfate Openeye Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium; ethyl sulfate CAS Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium; ethyl sulfate IUPAC Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium; ethyl sulfate Traditional Name: 3-ethyl-2-methyl-1,3-benzoxazol-3-ium; ethyl sulfate Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12NO.C2H6O4S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-2-6-7(3,4)5/h4-7H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1