Dipyridinium 3-(5-chloro-1,3-benzoxazol-2-yl)-4-cyano-2-oxo-2H-chromen-7-yl phosphate
[CAS# 94106-01-1]

Identification

• Name: Dipyridinium 3-(5-chloro-1,3-benzoxazol-2-yl)-4-cyano-2-oxo-2H-chromen-7-yl phosphate
• Synonyms: 2H-1-Benzopyran-4-carbonitrile, 3-(5-chloro-2-benzoxazolyl)-2-oxo-7-(phosphonooxy)-, compd. with pyridine (1:2); 3-(5-Chloro-2-benzoxazolyl)-4-cyanoumbelliferyl phosphate pyridine salt
• Molecular Formula: C₂₇H₁₆ClN₄O₇P
• Molecular Weight: 576.88
• CAS Registry Number: 94106-01-1
• SMILES: c1cc[nH+]cc1.c1cc[nH+]cc1.c1cc2c(cc1OP(=O)([O-])[O-])oc(=O)c(c2C#N)c3nc4cc(ccc4o3)Cl
• InChI: 1S/C17H8ClN2O7P.2C5H5N/c18-8-1-4-13-12(5-8)20-16(25-13)15-11(7-19)10-3-2-9(27-28(22,23)24)6-14(10)26-17(15)21;2*1-2-4-6-5-3-1/h1-6H,(H2,22,23,24);2*1-5H
• InChIKey: HSWJVWGIPRGVIV-UHFFFAOYSA-N