(3-azido-2-oxidanyl-4-phenyl-butyl) 4-methylbenzenesulfonate

Systemtic Name: (3-azido-2-oxidanyl-4-phenyl-butyl) 4-methylbenzenesulfonate Openeye Name: (3-azido-2-hydroxy-4-phenyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-azido-2-hydroxy-4-phenylbutyl) ester IUPAC Name: (3-azido-2-hydroxy-4-phenylbutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-azido-2-hydroxy-4-phenyl-butyl) ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(CC2=CC=CC=C2)N=[N+]=[N-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(CC2=CC=CC=C2)N=[N+]=[N-])O

InChI

InChI=1S/C17H19N3O4S/c1-13-7-9-15(10-8-13)25(22,23)24-12-17(21)16(19-20-18)11-14-5-3-2-4-6-14/h2-10,16-17,21H,11-12H2,1H3