(3-nitro-1,2,4-triazol-1-yl) 2,4,6-trimethylbenzenesulfinate

Systemtic Name: (3-nitro-1,2,4-triazol-1-yl) 2,4,6-trimethylbenzenesulfinate Openeye Name: (3-nitro-1,2,4-triazol-1-yl) 2,4,6-trimethylbenzenesulfinate CAS Name: 2,4,6-trimethylbenzenesulfinic acid (3-nitro-1,2,4-triazol-1-yl) ester IUPAC Name: (3-nitro-1,2,4-triazol-1-yl) 2,4,6-trimethylbenzenesulfinate Traditional Name: 2,4,6-trimethylbenzenesulfinic acid (3-nitro-1,2,4-triazol-1-yl) ester Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)ON2C=NC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)ON2C=NC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C11H12N4O4S/c1-7-4-8(2)10(9(3)5-7)20(18)19-14-6-12-11(13-14)15(16)17/h4-6H,1-3H3