5(6)-CR110

pro_cas
pro_cdbregno
CCD00206864
pro_formula
C21 H15 N2 O5 . Cl . Cl H
pro_molWeight
447.272

basic_info

Product_Name: 5(6)-CR110
EnglishSynonyms: 5-(AND-6)-CARBOXYRHODAMINE 110, HYDROCHLORIDE ; 5(6)-CR110
pro_mdlNumber: MFCD01310312
pro_acceptors: 7
pro_donors: 4
pro_smile: c1cc(c(c(c1)C(=O)O)c2c3ccc(cc3[o+]c4c2ccc(c4)N)N)C(=O)O.Cl.[Cl-]
InChi: InChI=1S/C21H14N2O5.2ClH/c22-10-4-6-12-16(8-10)28-17-9-11(23)5-7-13(17)18(12)19-14(20(24)25)2-1-3-15(19)21(26)27;;/h1-9H,22-23H2,(H-,24,25,26,27);2*1H
InChiKey: InChIKey=XLFXIGQFOBIBTK-UHFFFAOYSA-N

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