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

CAS Registry Number®

26694-69-9

CAS Name

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

Molecular Formula

C28H31N2O3.C2H5O4S

Cite this Page

Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26694-69-9 (retrieved 2024-12-22) (CAS RN: 26694-69-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H31N2O3.C2H6O4S/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;1-2-6-7(3,4)5/h9-16,29-30H,6-8H2,1-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1

InChIKey

InChIKey=JQMYOJYEBJFAHA-UHFFFAOYSA-M

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1)
  • Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, mono(ethyl sulfate)
  • Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, mono(ethyl sulfate)
  • Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate
  • Sulfuric acid, monoethyl ester, compd. with ethyl o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate (1:1)

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Deleted or Replaced CAS Registry Numbers

129223-64-9

CAS INSIGHTSTM
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