[2-(azidomethyl)-5,6-dimethoxy-3-methyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(azidomethyl)-5,6-dimethoxy-3-methyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(azidomethyl)-5,6-dimethoxy-3-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(azidomethyl)-5,6-dimethoxy-3-methylphenyl] ester IUPAC Name: [2-(azidomethyl)-5,6-dimethoxy-3-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(azidomethyl)-5,6-dimethoxy-3-methyl-phenyl] ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2OC)OC)C)CN=[N+]=[N-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2OC)OC)C)CN=[N+]=[N-]

InChI

InChI=1S/C17H19N3O5S/c1-11-5-7-13(8-6-11)26(21,22)25-16-14(10-19-20-18)12(2)9-15(23-3)17(16)24-4/h5-9H,10H2,1-4H3