3-iodanyl-6-methyl-4-[(4-methylphenyl)methylsulfanyl]isothiochromenylium tetrafluoroborate

Systemtic Name: 3-iodanyl-6-methyl-4-[(4-methylphenyl)methylsulfanyl]isothiochromenylium tetrafluoroborate Openeye Name: 3-iodo-6-methyl-4-(p-tolylmethylsulfanyl)isothiochromenylium tetrafluoroborate CAS Name: 3-iodo-6-methyl-4-[(4-methylphenyl)methylthio]-2-benzothiopyrylium tetrafluoroborate IUPAC Name: 3-iodo-6-methyl-4-[(4-methylphenyl)methylsulfanyl]isothiochromenylium tetrafluoroborate Traditional Name: 3-iodo-6-methyl-4-[(4-methylbenzyl)thio]-2-benzothiopyrylium tetrafluoroborate Formula: C18H16BF4IS2 MolecularWeight: 510.158723

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC=C(C=C1)CSC2=C3C=C(C=CC3=C[S+]=C2I)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC=C(C=C1)CSC2=C3C=C(C=CC3=C[S+]=C2I)C

InChI

InChI=1S/C18H16IS2.BF4/c1-12-3-6-14(7-4-12)10-20-17-16-9-13(2)5-8-15(16)11-21-18(17)19;2-1(3,4)5/h3-9,11H,10H2,1-2H3;/q+1;-1