
 NSC720623

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M  CHG  2  10   1  35  -1
M  END

>  <Chemical Name>
NSC720623

>  <PubChem CID>
5472653

>  <Formula>
C25H26F3N3O3S

>  <Molecular Weight>
505.556000

>  <IUPAC Name>
N,N-dimethyl-4-[(Z)-(6-methyl-7,8,9,10-tetrahydroindolo[1,2-b]indazol-5-ium-11-ylidene)methyl]aniline;trifluoromethanesulfonate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN1C2=C(CCCC2)C3=[N+]1C4=CC=CC=C4C3=CC5=CC=C(C=C5)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]

>  <Isomeric SMILES>
CN1C2=C(CCCC2)C\3=[N+]1C4=CC=CC=C4/C3=C/C5=CC=C(C=C5)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]

>  <InChI Std. ID>
InChI=1S/C24H26N3.CHF3O3S/c1-25(2)18-14-12-17(13-15-18)16-21-19-8-4-7-11-23(19)27-24(21)20-9-5-6-10-22(20)26(27)3;2-1(3,4)8(5,6)7/h4,7-8,11-16H,5-6,9-10H2,1-3H3;(H,5,6,7)/q+1;/p-1

>  <InChI Key>
DOARKRWMRODJNP-UHFFFAOYSA-M

