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Substance Name: Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, carbonate (1:1)
RN: 26694-70-2
InChIKey: RJMBBFAGHQHEFM-UHFFFAOYSA-M

Molecular Formula

  • C27-H29-N2-O3.C-H-O3

Molecular Weight

  • 490.553
 
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Names and Synonyms

Synonym

  • EINECS 247-908-5

Systematic Names

  • 3,6-Bis(ethylamino)-9-(o-(methoxycarbonyl)phenyl)-2,7-dimethylxanthylium hydrogen carbonate
  • Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, carbonate (1:1)

Registry Numbers

CAS Registry Number

  • 26694-70-2

Other Registry Number

  • 41382-39-2

System Generated Number

  • 0026694702

Molecular Formulas

Molecular Formula

  • C27-H29-N2-O3.C-H-O3

Molecular Formula Fragments

  • C-H-O3
  • C27-H29-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29N2O3.CH2O3/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;2-1(3)4/h8-15,28-29H,6-7H2,1-5H3;(H2,2,3,4)/q+1;/p-1

InChIKey

RJMBBFAGHQHEFM-UHFFFAOYSA-M

Smiles

[o+]1c2c(cc(c(NCC)c2)C)c(c2ccccc2C(OC)=O)c2cc(C)c(NCC)cc12.OC([O-])=O