3-iodanyl-4-(phenylmethylsulfanyl)isothiochromenylium tetrafluoroborate

Systemtic Name: 3-iodanyl-4-(phenylmethylsulfanyl)isothiochromenylium tetrafluoroborate Openeye Name: 4-benzylsulfanyl-3-iodo-isothiochromenylium tetrafluoroborate CAS Name: 3-iodo-4-(phenylmethylthio)-2-benzothiopyrylium tetrafluoroborate IUPAC Name: 4-benzylsulfanyl-3-iodoisothiochromenylium tetrafluoroborate Traditional Name: 4-(benzylthio)-3-iodo-2-benzothiopyrylium tetrafluoroborate Formula: C16H12BF4IS2 MolecularWeight: 482.105563

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)CSC2=C([S+]=CC3=CC=CC=C32)I

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)CSC2=C([S+]=CC3=CC=CC=C32)I

InChI

InChI=1S/C16H12IS2.BF4/c17-16-15(18-10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)11-19-16;2-1(3,4)5/h1-9,11H,10H2;/q+1;-1