ethyl 2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-carboxylate tetrafluoroborate

Systemtic Name: ethyl 2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-carboxylate tetrafluoroborate Openeye Name: ethyl 2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-carboxylate tetrafluoroborate CAS Name: 2-methyl-3-phenyl-1H-2-benzothiopyran-2-ium-4-carboxylic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-carboxylate tetrafluoroborate Traditional Name: 2-methyl-3-phenyl-1H-isothiochromen-2-ium-4-carboxylic acid ethyl ester tetrafluoroborate Formula: C19H19BF4O2S MolecularWeight: 398.222573

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=C([S+](CC2=CC=CC=C21)C)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=C([S+](CC2=CC=CC=C21)C)C3=CC=CC=C3

InChI

InChI=1S/C19H19O2S.BF4/c1-3-21-19(20)17-16-12-8-7-11-15(16)13-22(2)18(17)14-9-5-4-6-10-14;2-1(3,4)5/h4-12H,3,13H2,1-2H3;/q+1;-1