3-iodanyl-4-(naphthalen-1-ylmethylsulfanyl)benzo[h]isothiochromen-2-ium tetrafluoroborate

Systemtic Name: 3-iodanyl-4-(naphthalen-1-ylmethylsulfanyl)benzo[h]isothiochromen-2-ium tetrafluoroborate Openeye Name: 3-iodo-4-(1-naphthylmethylsulfanyl)benzo[h]isothiochromen-2-ium tetrafluoroborate CAS Name: 3-iodo-4-(1-naphthalenylmethylthio)benzo[h]isothiochromen-2-ium tetrafluoroborate IUPAC Name: 3-iodo-4-(naphthalen-1-ylmethylsulfanyl)benzo[h]isothiochromen-2-ium tetrafluoroborate Traditional Name: 3-iodo-4-(1-naphthylmethylthio)benz[h]isothiochromen-2-ium tetrafluoroborate Formula: C24H16BF4IS2 MolecularWeight: 582.222923

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C2C(=C1)C=CC=C2CSC3=C4C=CC5=CC=CC=C5C4=C[S+]=C3I

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C2C(=C1)C=CC=C2CSC3=C4C=CC5=CC=CC=C5C4=C[S+]=C3I

InChI

InChI=1S/C24H16IS2.BF4/c25-24-23(26-14-18-9-5-8-16-6-1-3-10-19(16)18)21-13-12-17-7-2-4-11-20(17)22(21)15-27-24;2-1(3,4)5/h1-13,15H,14H2;/q+1;-1