Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, tetrafluoroborate(1-) (1:1)

CAS Registry Number®

54854-14-7
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CAS Name

Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, tetrafluoroborate(1-) (1:1)

Molecular Formula

C28H31N2O3.BF4

Cite this Page

Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, tetrafluoroborate(1-) (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=54854-14-7 (retrieved 2024-04-29) (CAS RN: 54854-14-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H31N2O3.BF4/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3,4)5/h9-16,29-30H,6-8H2,1-5H3;/q+1;-1

InChIKey

InChIKey=UMSPOHHCMOJELW-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=C(C=2C3=C([O+]=C4C2C=C(C)C(NCC)=C4)C=C(NCC)C(C)=C3)C=CC=C1.[B+3]([F-])([F-])([F-])[F-]

Canonical SMILES

O=C(OCC)C=1C=CC=CC1C=2C=3C=C(C(=CC3[O+]=C4C=C(NCC)C(=CC42)C)NCC)C.[F-][B+3]([F-])([F-])[F-]

Other Names for this Substance

  • Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, tetrafluoroborate(1-) (1:1)
  • Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, mono[tetrafluoroborate(1-)]
  • Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, tetrafluoroborate(1-)
  • Borate(1-), tetrafluoro-, hydrogen, compd. with ethyl 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate (1:1)
  • Borate(1-), tetrafluoro-, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium

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Deleted or Replaced CAS Registry Numbers

1284221-62-0

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