2-ethyl-3,4-diphenyl-1H-isothiochromen-2-ium tetrafluoroborate

Systemtic Name: 2-ethyl-3,4-diphenyl-1H-isothiochromen-2-ium tetrafluoroborate Openeye Name: 2-ethyl-3,4-diphenyl-1H-isothiochromen-2-ium tetrafluoroborate CAS Name: 2-ethyl-3,4-diphenyl-1H-2-benzothiopyran-2-ium tetrafluoroborate IUPAC Name: 2-ethyl-3,4-diphenyl-1H-isothiochromen-2-ium tetrafluoroborate Traditional Name: 2-ethyl-3,4-diphenyl-1H-isothiochromen-2-ium tetrafluoroborate Formula: C23H21BF4S MolecularWeight: 416.282453

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC[S+]1CC2=CC=CC=C2C(=C1C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CC[S+]1CC2=CC=CC=C2C(=C1C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21S.BF4/c1-2-24-17-20-15-9-10-16-21(20)22(18-11-5-3-6-12-18)23(24)19-13-7-4-8-14-19;2-1(3,4)5/h3-16H,2,17H2,1H3;/q+1;-1