(4-bromophenyl)-(2-ethyl-1H-isothiochromen-2-ium-3-yl)methanone tetrafluoroborate

Systemtic Name: (4-bromophenyl)-(2-ethyl-1H-isothiochromen-2-ium-3-yl)methanone tetrafluoroborate Openeye Name: (4-bromophenyl)-(2-ethyl-1H-isothiochromen-2-ium-3-yl)methanone tetrafluoroborate CAS Name: (4-bromophenyl)-(2-ethyl-1H-2-benzothiopyran-2-ium-3-yl)methanone tetrafluoroborate IUPAC Name: (4-bromophenyl)-(2-ethyl-1H-isothiochromen-2-ium-3-yl)methanone tetrafluoroborate Traditional Name: (4-bromophenyl)-(2-ethyl-1H-isothiochromen-2-ium-3-yl)methanone tetrafluoroborate Formula: C18H16BBrF4OS MolecularWeight: 447.092653

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC[S+]1CC2=CC=CC=C2C=C1C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

[B-](F)(F)(F)F.CC[S+]1CC2=CC=CC=C2C=C1C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrOS.BF4/c1-2-21-12-15-6-4-3-5-14(15)11-17(21)18(20)13-7-9-16(19)10-8-13;2-1(3,4)5/h3-11H,2,12H2,1H3;/q+1;-1