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Substance Name: Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, chloride (1:1)
RN: 39393-39-0
InChIKey: WODAOEIFNMQKIS-UHFFFAOYSA-M

Molecular Formula

  • C29-H33-N2-O3.Cl

Molecular Weight

  • 493.044
 
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Names and Synonyms

Synonym

  • Ethanaminium, N-(6-(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-3H-xanthen-3-ylidene)-N-ethyl-, chloride

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 39393-39-0

System Generated Number

  • 0039393390

Molecular Formulas

Molecular Formula

  • C29-H33-N2-O3.Cl

Molecular Formula Fragments

  • C29-H33-N2-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C29H33N2O3.ClH/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;/h10-19H,6-9H2,1-5H3;1H/q+1;/p-1

InChIKey

WODAOEIFNMQKIS-UHFFFAOYSA-M

Smiles

[o+]1c2c(c(c3c(cccc3)C(OC)=O)c3ccc(N(CC)CC)cc13)ccc(N(CC)CC)c2.[ClH-]