Merocyanine I
[CAS# 58823-12-4]

Identification

• Name: Merocyanine I
• Synonyms: Sodium 3-[(2Z)-2-[(E)-4-(1,3-Dibutyl-2,4,6-Trioxo-Hexahydropyrimidin-5-Ylidene)But-2-Enylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate; Sodium 3-[(2Z)-2-[(E)-4-(1,3-Dibutyl-2,4,6-Trioxo-5-Hexahydropyrimidinylidene)But-2-Enylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate; Sodium 3-[(2Z)-2-[(E)-4-(1,3-Dibutyl-2,4,6-Triketo-Hexahydropyrimidin-5-Ylidene)But-2-Enylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate
• Molecular Formula: C₂₆H₃₂N₃NaO₇S
• CAS Registry Number: 58823-12-4
• SMILES: C1=CC=CC2=C1N(C(/O2)=C/C=C/C=C3C(=O)N(C(=O)N(C3=O)CCCC)CCCC)CCC[S]([O-])(=O)=O.[Na+]
• InChI: 1S/C26H33N3O7S.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)32)17-6-4-2)12-7-10-15-23-27(18-11-19-37(33,34)35)21-13-8-9-14-22(21)36-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,33,34,35);/q;+1/p-1/b10-7+,23-15-
• InChIKey: DZVCFNFOPIZQKX-LTHRDKTGSA-M