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

Systemtic Name: (2-ethyl-1H-isothiochromen-2-ium-3-yl)-(4-phenylphenyl)methanone tetrafluoroborate Openeye Name: (2-ethyl-1H-isothiochromen-2-ium-3-yl)-(4-phenylphenyl)methanone tetrafluoroborate CAS Name: (2-ethyl-1H-2-benzothiopyran-2-ium-3-yl)-(4-phenylphenyl)methanone tetrafluoroborate IUPAC Name: (2-ethyl-1H-isothiochromen-2-ium-3-yl)-(4-phenylphenyl)methanone tetrafluoroborate Traditional Name: (2-ethyl-1H-isothiochromen-2-ium-3-yl)-(4-phenylphenyl)methanone tetrafluoroborate Formula: C24H21BF4OS MolecularWeight: 444.292553

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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)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CC[S+]1CC2=CC=CC=C2C=C1C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21OS.BF4/c1-2-26-17-22-11-7-6-10-21(22)16-23(26)24(25)20-14-12-19(13-15-20)18-8-4-3-5-9-18;2-1(3,4)5/h3-16H,2,17H2,1H3;/q+1;-1