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Substance Name: alpha-((tert-Butylamino)methyl)-3,4-dihydroxybenzyl alcohol-3,4-di(4-toluate)methanesulfonate
RN: 76741-89-4
InChIKey: RQLSEYZHOFCKJH-UHFFFAOYSA-N

Molecular Weight

  • 539.646
 
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Names and Synonyms

Name of Substance

  • alpha-((tert-Butylamino)methyl)-3,4-dihydroxybenzyl alcohol-3,4-di(4-toluate)methanesulfonate

Synonym

  • alpha-((tert-Butylamino)methyl)-3,4-dihydroxybenzyl alcohol-3,4-di(p-toluate)methanesulfonate

Systematic Name

  • Benzoic acid, 4-methyl-, 4-(2-((1,1-dimethylethyl)amino)-1-((methylsulfonyl)oxy)ethyl)-1,2-phenylene ester

Registry Numbers

CAS Registry Number

  • 76741-89-4

System Generated Number

  • 0076741894

Structure Descriptors

InChI

1S/C29H33NO7S/c1-19-7-11-21(12-8-19)27(31)35-24-16-15-23(26(37-38(6,33)34)18-30-29(3,4)5)17-25(24)36-28(32)22-13-9-20(2)10-14-22/h7-17,26,30H,18H2,1-6H3

InChIKey

RQLSEYZHOFCKJH-UHFFFAOYSA-N

Smiles

c1(c(cc(cc1)[C@@H](CNC(C)(C)C)OS(=O)(=O)C)OC(c1ccc(cc1)C)=O)OC(c1ccc(cc1)C)=O