(3,5-dimethylphenyl)methanesulfonate; imidazol-2-ylideneazanium

Systemtic Name: (3,5-dimethylphenyl)methanesulfonate; imidazol-2-ylideneazanium Openeye Name: (3,5-dimethylphenyl)methanesulfonate; imidazol-2-ylideneammonium CAS Name: (3,5-dimethylphenyl)methanesulfonate; 2-imidazolylideneammonium IUPAC Name: (3,5-dimethylphenyl)methanesulfonate; imidazol-2-ylideneazanium Traditional Name: (3,5-dimethylphenyl)methanesulfonate; imidazol-2-ylideneammonium Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.C1=NC(=[NH2+])N=C1

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.C1=NC(=[NH2+])N=C1

InChI

InChI=1S/C9H12O3S.C3H3N3/c1-7-3-8(2)5-9(4-7)6-13(10,11)12;4-3-5-1-2-6-3/h3-5H,6H2,1-2H3,(H,10,11,12);1-2,4H