2-butyl-3-[(1E,3E,5E)-7-[(3Z)-2-butyl-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-3-ylidene]hepta-1,3,5-trien-1-yl]-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),2,4,6,8,10-hexaen-2-ium, tetrafluoroboranuide
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Basic information
GHS | |
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Exact Mass | 596.29859 |
Smiles | F[B-](F)(F)F.CCCCN1C2=C3C(=CC=C2)C=CC=C3/C/1=C/C=C/C=C/C=C/C1C2C=CC=C3C=2C([N+]=1CCCC)=CC=C3 |
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Canonical Smiles | CCCC[N+]1C2=CC=CC3=CC=CC(=C32)C=1/C=C/C=C/C=C/C=C1/C2=CC=CC3=CC=CC(=C32)N/1CCCC.F[B-](F)(F)F |
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Physicochemical Propertie | |
Inchi | InChI=1S/C37H37N2.BF4/c1-3-5-26-38-32(30-20-12-16-28-18-14-24-34(38)36(28)30)22-10-8-7-9-11-23-33-31-21-13-17-29-19-15-25-35(37(29)31)39(33)27-6-4-2;2-1(3,4)5/h7-25H,3-6,26-27H2,1-2H3;/q+1;-1 |
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Feature | |
Useage | |
InchiKey | GZMVWRSUXVAKFE-UHFFFAOYSA-N |
Vapor Pressure | |
Transport Condition | Normal |
Security information
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Storage Temp. | RT |
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