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Substance Name: (+-)-1H-Imidazole-4-sulfonic acid, 1-methyl-, 4-((5,6-dihydro-4-hydroxy-6-(2-(4-hydroxyphenyl)ethyl)-6-(1-methylethyl)-2-oxo-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl ester
RN: 263842-86-0
InChIKey: SHKHHLDLQSOUTB-UHFFFAOYSA-N

Molecular Formula

  • C31-H38-N2-O7-S2

Molecular Weight

  • 614.7802
 
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Names and Synonyms

  • (+-)-1H-Imidazole-4-sulfonic acid, 1-methyl-, 4-((5,6-dihydro-4-hydroxy-6-(2-(4-hydroxyphenyl)ethyl)-6-(1-methylethyl)-2-oxo-2H-pyran-3-yl)thio)-5-(1,1-dimethylethyl)-2-methylphenyl ester

Registry Numbers

CAS Registry Number

  • 263842-86-0

System Generated Number

  • 0263842860

Structure Descriptors

InChI

1S/C31H38N2O7S2/c1-19(2)31(13-12-21-8-10-22(34)11-9-21)16-24(35)28(29(36)39-31)41-26-14-20(3)25(15-23(26)30(4,5)6)40-42(37,38)27-17-33(7)18-32-27/h8-11,14-15,17-19,34-35H,12-13,16H2,1-7H3

InChIKey

SHKHHLDLQSOUTB-UHFFFAOYSA-N

Smiles

Cc1cc(c(cc1OS(=O)(=O)c2cn(cn2)C)C(C)(C)C)SC3=C(CC(OC3=O)(CCc4ccc(cc4)O)C(C)C)O