BODIPY 16 | CAS 2654002-78-3

Name: BODIPY 16
Brand: BOC Sciences
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IUPAC Name	1,3-bis(2-(5,5-difluoro-2,8-bis((2R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-5,6-dihydro-2H-pyran-2-yl)-1,3,7,9-tetramethyl-5H-4λ4,5λ4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-10-yl)benzyl)urea
Canonical SMILES	O=C(NCC=1C=CC=CC1C2=C3C(=C(C(=[N]3[B+3]([F-])([F-])[N-]4C2=C(C(=C4C)C5OC(CO)C(O)C=C5)C)C)C6OC(CO)C(O)C=C6)C)NCC=7C=CC=CC7C8=C9C(=C(C(=[N]9[B+3]([F-])([F-])[N-]%10C8=C(C(=C%10C)C%11OC(CO)C(O)C=C%11)C)C)C%12OC(CO)C(O)C=C%12)C
InChI	InChI=1S/C65H74B2F4N6O13/c1-31-55(47-21-17-43(82)51(27-78)87-47)35(5)74-61(31)59(62-32(2)56(36(6)75(62)66(74,68)69)48-22-18-44(83)52(28-79)88-48)41-15-11-9-13-39(41)25-72-65(86)73-26-40-14-10-12-16-42(40)60-63-33(3)57(49-23-19-45(84)53(29-80)89-49)37(7)76(63)67(70,71)77-38(8)58(34(4)64(60)77)50-24-20-46(85)54(30-81)90-50/h9-24,43-54,78-85H,25-30H2,1-8H3,(H2,72,73,86)/t43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+/m0/s1
InChIKey	PIHJZLJBRGUNGX-HEEFIZRSSA-N
Appearance	Red Solid