2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYLNAPHTHO[2,1-D][1,3]OXAZOL-2(3H)-YLIDENE]ETHYLIDENE)-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYLNAPHTHO[2,1-D][1,3]OXAZOL-3-IUM IODIDE

pro_cas
51437-63-9
pro_cdbregno
CCD00594445
pro_formula
C36 H32 Cl N2 O2 . I
pro_molWeight
687.014

basic_info

Product_Name: 2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYLNAPHTHO[2,1-D][1,3]OXAZOL-2(3H)-YLIDENE]ETHYLIDENE)-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYLNAPHTHO[2,1-D][1,3]OXAZOL-3-IUM IODIDE
CAS: 51437-63-9
EnglishSynonyms: 2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYLNAPHTHO[2,1-D][1,3]OXAZOL-2(3H)-YLIDENE]ETHYLIDENE)-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYLNAPHTHO[2,1-D][1,3]OXAZOL-3-IUM IODIDE
pro_mdlNumber: MFCD07433765
pro_acceptors: 4
pro_donors: 0
pro_smile: CC[n+]1c2ccc3ccccc3c2oc1/C=C/C4=C(/C(=C/C=C\5/N(c6ccc7ccccc7c6O5)CC)/CCC4)Cl.[I-]
InChi: InChI=1S/C36H32ClN2O2.HI/c1-3-38-30-20-16-24-10-5-7-14-28(24)35(30)40-32(38)22-18-26-12-9-13-27(34(26)37)19-23-33-39(4-2)31-21-17-25-11-6-8-15-29(25)36(31)41-33;/h5-8,10-11,14-23H,3-4,9,12-13H2,1-2H3;1H/q+1;/p-1
InChiKey: InChIKey=VSIDFUNWCFAQIA-UHFFFAOYSA-M

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