(3-azido-5-nitro-phenyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-azido-5-nitro-phenyl)methyl 4-methylbenzenesulfonate Openeye Name: (3-azido-5-nitro-phenyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-azido-5-nitrophenyl)methyl ester IUPAC Name: (3-azido-5-nitrophenyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-azido-5-nitro-benzyl) ester Formula: C14H12N4O5S MolecularWeight: 348.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=CC(=C2)[N+](=O)[O-])N=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=CC(=C2)[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C14H12N4O5S/c1-10-2-4-14(5-3-10)24(21,22)23-9-11-6-12(16-17-15)8-13(7-11)18(19)20/h2-8H,9H2,1H3