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Substance Name: CE-1037
RN: 155947-72-1
UNII: MAI9H9XYHP
InChIKey: HTARXGMNANKUGQ-UHFFFAOYSA-L

Molecular Formula

  • C36-H40-O12-S2.2Na

Molecular Weight

  • 774.8051
 
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Names and Synonyms

Name of Substance

  • CE-1037

Synonyms

  • 1,4-Benzenediacetic acid, alpha,alpha,alpha',alpha'-tetramethyl-, bis(4-((2-carboxy-2-methylpropyl)sulfonyl)phenyl) ester, disodium salt
  • Bis(4-(2'-carboxy-2'-methylpropylsulfonyl)phenyl)-2,2'-(1,4-phenylene)diisobutyrate disodium
  • CE-1037
  • UNII-MAI9H9XYHP

Registry Numbers

CAS Registry Number

  • 155947-72-1

FDA UNII

  • MAI9H9XYHP

System Generated Number

  • 0155947721

Structure Descriptors

InChI

1S/C36H42O12S2.2Na/c1-33(2,29(37)38)21-49(43,44)27-17-13-25(14-18-27)47-31(41)35(5,6)23-9-11-24(12-10-23)36(7,8)32(42)48-26-15-19-28(20-16-26)50(45,46)22-34(3,4)30(39)40;;/h9-20H,21-22H2,1-8H3,(H,37,38)(H,39,40);;/q;2*+1/p-2

InChIKey

HTARXGMNANKUGQ-UHFFFAOYSA-L

Smiles

[Na+].[Na+].CC(C)(CS(=O)(=O)c1ccc(OC(=O)C(C)(C)c2ccc(cc2)C(C)(C)C(=O)Oc3ccc(cc3)S(=O)(=O)CC(C)(C)C(=O)[O-])cc1)C(=O)[O-]