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Substance Name: Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, methyl sulfate (1:1)
RN: 39701-33-2
InChIKey: MOVYXPWEFBTHDN-UHFFFAOYSA-M

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C29-H33-N2-O3.C-H3-O4-S

Molecular Weight

  • 568.687
 
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Names and Synonyms

  • Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, methyl sulfate
  • Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, methyl sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 39701-33-2

System Generated Number

  • 0039701332

Molecular Formulas

Molecular Formula

  • C29-H33-N2-O3.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C29-H33-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C29H33N2O3.CH4O4S/c1-6-30(7-2)20-14-16-24-26(18-20)34-27-19-21(31(8-3)9-4)15-17-25(27)28(24)22-12-10-11-13-23(22)29(32)33-5;1-5-6(2,3)4/h10-19H,6-9H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

MOVYXPWEFBTHDN-UHFFFAOYSA-M

Smiles

[o+]1c2cc(N(CC)CC)ccc2c(c2c(cccc2)C(OC)=O)c2ccc(cc12)N(CC)CC.S(=O)(=O)([O-])OC