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3-phenyl-4,4a-dihydro-1H-thiopyrano[1,2-a]thiochromen-11-ium-6-carbonitrile tetrafluoroborate
3-phenyl-4,4a-dihydro-1H-thiopyrano[1,2-a]thiochromen-11-ium-6-carbonitrile tetrafluoroborate
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Descriptors Computed from Structure
Canonical SMILES:
[B-](F)(F)(F)F.C1C=C(CC2[S+]1C3=CC=CC=C3C(=C2)C#N)C4=CC=CC=C4
Isomeric SMILES
[B-](F)(F)(F)F.C1C=C(CC2[S+]1C3=CC=CC=C3C(=C2)C#N)C4=CC=CC=C4
InChI
InChI=1S/C20H16NS.BF4/c21-14-17-13-18-12-16(15-6-2-1-3-7-15)10-11-22(18)20-9-5-4-8-19(17)20;2-1(3,4)5/h1-10,13,18H,11-12H2;/q+1;-1
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