Sodium 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-3(2H)-benzoxazolepropanesulfonate (1:1)

CAS Registry Number®

62796-23-0
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CAS Name

Sodium 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-3(2H)-benzoxazolepropanesulfonate (1:1)

Molecular Formula

C26H33N3O6S2.Na

Cite this Page

Sodium 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-3(2H)-benzoxazolepropanesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=62796-23-0 (retrieved 2024-05-02) (CAS RN: 62796-23-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H33N3O6S2.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);

InChIKey

InChIKey=UUZXTOLBYZUZIR-UHFFFAOYSA-N

SMILES

C(CCS(=O)(=O)O)N1C=2C(OC1=CC=CC=C3C(=O)N(CCCC)C(=S)N(CCCC)C3=O)=CC=CC2.[Na]

Canonical SMILES

[Na].O=C1C(=CC=CC=C2OC=3C=CC=CC3N2CCCS(=O)(=O)O)C(=O)N(C(=S)N1CCCC)CCCC

Other Names for this Substance

  • 3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-, sodium salt (1:1)
  • 3(2H)-Benzoxazolepropanesulfonic acid, 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene]-, sodium salt
  • Sodium 2-[4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-buten-1-ylidene]-3(2H)-benzoxazolepropanesulfonate (1:1)
  • Merocyanine 540
  • NK 2272

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