5-methyl-6,7-diphenyl-benzo[d][1]benzothiepin-5-ium tetrafluoroborate

Systemtic Name: 5-methyl-6,7-diphenyl-benzo[d][1]benzothiepin-5-ium tetrafluoroborate Openeye Name: 5-methyl-6,7-diphenyl-benzo[d][1]benzothiepin-5-ium tetrafluoroborate CAS Name: 5-methyl-6,7-diphenylbenzo[d][1]benzothiepin-5-ium tetrafluoroborate IUPAC Name: 5-methyl-6,7-diphenylbenzo[d][1]benzothiepin-5-ium tetrafluoroborate Traditional Name: 5-methyl-6,7-diphenyl-benzo[d][1]benzothiepin-5-ium tetrafluoroborate Formula: C27H21BF4S MolecularWeight: 464.325253

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[S+]1C2=CC=CC=C2C3=CC=CC=C3C(=C1C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.C[S+]1C2=CC=CC=C2C3=CC=CC=C3C(=C1C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21S.BF4/c1-28-25-19-11-10-17-23(25)22-16-8-9-18-24(22)26(20-12-4-2-5-13-20)27(28)21-14-6-3-7-15-21;2-1(3,4)5/h2-19H,1H3;/q+1;-1