Nombre: trans-{3-[[4-(2-{4-[[3-(dimethylsulfonio)phenyl](phenyl)amino]phenyl}vinyl)phenyl](phenyl)amino]phenl}(dimethyl)sulfonium triflate
IUPAC: [3-(N-[4-[2-[4-(N-(3-dimethylsulfoniophenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]-dimethylsulfanium;bis(trifluoromethanesulfonate)
SMILES:
C[S+](C)c1cccc(N(c2ccccc2)c2ccc(C=Cc3ccc(N(c4ccccc4)c4cccc([S+](C)C)c4)cc3)cc2)c1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)FCanonical SMILES:
C[S+](C)C1=CC=CC(=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC(=CC=C6)[S+](C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]Fórmula molecular: C44H40F6N2O6S4
Masa molecular: 935.10
InChIKey: WXZZWUOBLHLANS-UHFFFAOYSA-L
InChI:
PubChem CID: 86600077 →InChI=1S/C42H40N2S2.2CHF3O3S/c1-45(2)41-19-11-17-39(31-41)43(35-13-7-5-8-14-35)37-27-23-33(24-28-37)21-22-34-25-29-38(30-26-34)44(36-15-9-6-10-16-36)40-18-12-20-42(32-40)46(3)4;2*2-1(3,4)8(5,6)7/h5-32H,1-4H3;2*(H,5,6,7)/q+2;;/p-2Sinónimos
{3-[[4-(2-{4-[[3-(dimethylsulfonio)phenyl](phenyl)amino]-phenyl}-vinyl)phenyl](phenyl)amino]phenyl}(dimethyl)sulfonium triflateSCHEMBL3375473
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