[3-azido-5-(4-bromophenyl)-2-oxidanyl-pentan-2-yl] methanesulfonate

Systemtic Name: [3-azido-5-(4-bromophenyl)-2-oxidanyl-pentan-2-yl] methanesulfonate Openeye Name: [2-azido-4-(4-bromophenyl)-1-hydroxy-1-methyl-butyl] methanesulfonate CAS Name: methanesulfonic acid [3-azido-5-(4-bromophenyl)-2-hydroxypentan-2-yl] ester IUPAC Name: [3-azido-5-(4-bromophenyl)-2-hydroxypentan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-azido-4-(4-bromophenyl)-1-hydroxy-1-methyl-butyl] ester Formula: C12H16BrN3O4S MolecularWeight: 378.24214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CC=C(C=C1)Br)N=[N+]=[N-])(O)OS(=O)(=O)C

Isomeric SMILES

CC(C(CCC1=CC=C(C=C1)Br)N=[N+]=[N-])(O)OS(=O)(=O)C

InChI

InChI=1S/C12H16BrN3O4S/c1-12(17,20-21(2,18)19)11(15-16-14)8-5-9-3-6-10(13)7-4-9/h3-4,6-7,11,17H,5,8H2,1-2H3