Sodium 3-[(2Z)-2-[(2E)-4-(1,3-Dibutyl-4,6-Dioxo-2-Thioxotetrahydro-5(2H)-Pyrimidinylidene)-2-Buten-1-Ylidene]-1,3-Benzoxazol-3(2H)-Yl]-1-Propanesulfonate
[CAS# 63834-57-1]

Identification

• Name: Sodium 3-[(2Z)-2-[(2E)-4-(1,3-Dibutyl-4,6-Dioxo-2-Thioxotetrahydro-5(2H)-Pyrimidinylidene)-2-Buten-1-Ylidene]-1,3-Benzoxazol-3(2H)-Yl]-1-Propanesulfonate
• Synonyms: 3-{2-[(2E)-4-(1,3-dibutyl-4,6-dioxo-2-thioxo(1,3-dihydropyrimidin-5-ylidene))but-2-enylidene]-3-hydrobenzoxazol-3-yl}propanesulfonic acid, sodium salt; Merocyanine 540; sodium 3-{2-[4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2h)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2h)-yl}propane-1-sulfonate
• Molecular Formula: C₂₆H₃₂N₃NaO₆S₂
• Molecular Weight: 569.67
• CAS Registry Number: 63834-57-1
• SMILES: CCCCN1C(=O)C(=C/C=C/C=C\2/N(C3=CC=CC=C3O2)CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC.[Na+]
• 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);/q;+1/p-1/b10-7+,23-15-
• InChIKey: OSQUFVVXNRMSHL-LTHRDKTGSA-M