(3-nitro-1,2,4-triazol-1-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-nitro-1,2,4-triazol-1-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3-nitro-1,2,4-triazol-1-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-nitro-1,2,4-triazol-1-yl)methyl ester IUPAC Name: (3-nitro-1,2,4-triazol-1-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-nitro-1,2,4-triazol-1-yl)methyl ester Formula: C10H10N4O5S MolecularWeight: 298.2752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O5S/c1-8-2-4-9(5-3-8)20(17,18)19-7-13-6-11-10(12-13)14(15)16/h2-6H,7H2,1H3