[3-iodanyl-4-[(4-methoxyphenyl)methylsulfanyl]isothiochromen-6-ylidene]-methyl-oxidanium tetrafluoroborate

Systemtic Name: [3-iodanyl-4-[(4-methoxyphenyl)methylsulfanyl]isothiochromen-6-ylidene]-methyl-oxidanium tetrafluoroborate Openeye Name: [3-iodo-4-[(4-methoxyphenyl)methylsulfanyl]isothiochromen-6-ylidene]-methyl-oxonium tetrafluoroborate CAS Name: [3-iodo-4-[(4-methoxyphenyl)methylthio]-2-benzothiopyran-6-ylidene]-methyloxonium tetrafluoroborate IUPAC Name: [3-iodo-4-[(4-methoxyphenyl)methylsulfanyl]isothiochromen-6-ylidene]-methyloxidanium tetrafluoroborate Traditional Name: [3-iodo-4-(p-anisylthio)isothiochromen-6-ylidene]-methyl-oxonium tetrafluoroborate Formula: C18H16BF4IO2S2 MolecularWeight: 542.157523

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.COC1=CC=C(C=C1)CSC2=C(SC=C3C2=CC(=[O+]C)C=C3)I

Isomeric SMILES

[B-](F)(F)(F)F.COC1=CC=C(C=C1)CSC2=C(SC=C3C2=CC(=[O+]C)C=C3)I

InChI

InChI=1S/C18H16IO2S2.BF4/c1-20-14-6-3-12(4-7-14)10-22-17-16-9-15(21-2)8-5-13(16)11-23-18(17)19;2-1(3,4)5/h3-9,11H,10H2,1-2H3;/q+1;-1