[(2S,4R)-5-azido-4-(2-methoxyethoxymethoxy)-2-methyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,4R)-5-azido-4-(2-methoxyethoxymethoxy)-2-methyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S,4R)-5-azido-4-(2-methoxyethoxymethoxy)-2-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,4R)-5-azido-4-(2-methoxyethoxymethoxy)-2-methylpentyl] ester IUPAC Name: [(2S,4R)-5-azido-4-(2-methoxyethoxymethoxy)-2-methylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,4R)-5-azido-4-(2-methoxyethoxymethoxy)-2-methyl-pentyl] ester Formula: C17H27N3O6S MolecularWeight: 401.47778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CC(CN=[N+]=[N-])OCOCCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C)C[C@H](CN=[N+]=[N-])OCOCCOC

InChI

InChI=1S/C17H27N3O6S/c1-14-4-6-17(7-5-14)27(21,22)26-12-15(2)10-16(11-19-20-18)25-13-24-9-8-23-3/h4-7,15-16H,8-13H2,1-3H3/t15-,16+/m0/s1