dimethyl-[4-[5-(1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]-sulfo-azanium

Systemtic Name: dimethyl-[4-[5-(1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]-sulfo-azanium Openeye Name: [4-(5-isoxazol-5-yl-1,2,4-oxadiazol-3-yl)phenyl]-dimethyl-sulfo-ammonium CAS Name: [4-[5-(5-isoxazolyl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfoammonium IUPAC Name: dimethyl-[4-[5-(1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]-sulfoazanium Traditional Name: [4-(5-isoxazol-5-yl-1,2,4-oxadiazol-3-yl)phenyl]-dimethyl-sulfo-ammonium Formula: C13H13N4O5S+ MolecularWeight: 337.33112

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=NO3)S(=O)(=O)O

Isomeric SMILES

C[N+](C)(C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=NO3)S(=O)(=O)O

InChI

InChI=1S/C13H12N4O5S/c1-17(2,23(18,19)20)10-5-3-9(4-6-10)12-15-13(22-16-12)11-7-8-14-21-11/h3-8H,1-2H3/p+1