methylbenzene; N-(4-nitro-2,1,3-benzoxadiazol-7-yl)sulfamate

Systemtic Name: methylbenzene; N-(4-nitro-2,1,3-benzoxadiazol-7-yl)sulfamate Openeye Name: N-(4-nitro-2,1,3-benzoxadiazol-7-yl)sulfamate; toluene CAS Name: N-(4-nitro-2,1,3-benzoxadiazol-7-yl)sulfamate; toluene IUPAC Name: N-(4-nitro-2,1,3-benzoxadiazol-7-yl)sulfamate; toluene Traditional Name: N-(7-nitrobenzofurazan-4-yl)sulfamate; toluene Formula: C13H11N4O6S- MolecularWeight: 351.31464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1.C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NS(=O)(=O)[O-]

InChI

InChI=1S/C7H8.C6H4N4O6S/c1-7-5-3-2-4-6-7;11-10(12)4-2-1-3(9-17(13,14)15)5-6(4)8-16-7-5/h2-6H,1H3;1-2,9H,(H,13,14,15)/p-1