2-(2-(3-Heptyl-4-methyl-2-thiazolin-2-ylidene)methine)-3-heptyl-4-methylthiazolium orotate
[CAS# 35020-81-6]

Identification

• Name: 2-(2-(3-Heptyl-4-methyl-2-thiazolin-2-ylidene)methine)-3-heptyl-4-methylthiazolium orotate
• Synonyms: 2,6-Dioxo-3H-Pyrimidine-4-Carboxylate; 3-Heptyl-2-[(E)-(3-Heptyl-4-Methyl-Thiazol-2-Ylidene)Methyl]-4-Methyl-Thiazol-3-Ium; 2,6-Dioxo-3H-Pyrimidine-4-Carboxylate; 3-Heptyl-2-[(E)-(3-Heptyl-4-Methyl-2-Thiazolylidene)Methyl]-4-Methylthiazol-3-Ium; 2,6-Diketo-3H-Pyrimidine-4-Carboxylate; 3-Heptyl-2-[(E)-(3-Heptyl-4-Methyl-Thiazol-2-Ylidene)Methyl]-4-Methyl-Thiazol-3-Ium
• Molecular Formula: C₂₈H₄₂N₄O₄S₂
• Molecular Weight: 562.78
• CAS Registry Number: 35020-81-6
• SMILES: C1=C([N+](=C(S1)\C=C/2SC=C(N2CCCCCCC)C)CCCCCCC)C.O=C3NC(=CC(=O)N3)C([O-])=O
• InChI: 1S/C23H39N2S2.C5H4N2O4/c1-5-7-9-11-13-15-24-20(3)18-26-22(24)17-23-25(21(4)19-27-23)16-14-12-10-8-6-2;8-3-1-2(4(9)10)6-5(11)7-3/h17-19H,5-16H2,1-4H3;1H,(H,9,10)(H2,6,7,8,11)/q+1;/p-1
• InChIKey: VXRFQUVQNOPKIM-UHFFFAOYSA-M