2-cyclohepta-2,4,6-trien-1-ylidene-3-(5-methylfuran-2-yl)-1-(phenylsulfonyl)indol-1-ium tetrafluoroborate

Systemtic Name: 2-cyclohepta-2,4,6-trien-1-ylidene-3-(5-methylfuran-2-yl)-1-(phenylsulfonyl)indol-1-ium tetrafluoroborate Openeye Name: 1-(benzenesulfonyl)-2-cyclohepta-2,4,6-trien-1-ylidene-3-(5-methyl-2-furyl)indol-1-ium tetrafluoroborate CAS Name: 1-(benzenesulfonyl)-2-(1-cyclohepta-2,4,6-trienylidene)-3-(5-methyl-2-furanyl)indol-1-ium tetrafluoroborate IUPAC Name: 1-(benzenesulfonyl)-2-cyclohepta-2,4,6-trien-1-ylidene-3-(5-methylfuran-2-yl)indol-1-ium tetrafluoroborate Traditional Name: 1-besyl-2-cyclohepta-2,4,6-trien-1-ylidene-3-(5-methyl-2-furyl)indol-1-ium tetrafluoroborate Formula: C26H20BF4NO3S MolecularWeight: 513.311513

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC=C(O1)C2=C3C=CC=CC3=[N+](C2=C4C=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC=C(O1)C2=C3C=CC=CC3=[N+](C2=C4C=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H20NO3S.BF4/c1-19-17-18-24(30-19)25-22-15-9-10-16-23(22)27(26(25)20-11-5-2-3-6-12-20)31(28,29)21-13-7-4-8-14-21;2-1(3,4)5/h2-18H,1H3;/q+1;-1