triphenylstannanylium; tris[(3S,4S)-3,4-diphenylpyrrolidin-1-yl]sulfanium; difluoride

Systemtic Name: triphenylstannanylium; tris[(3S,4S)-3,4-diphenylpyrrolidin-1-yl]sulfanium; difluoride Openeye Name: triphenylstannanylium; tris[(3S,4S)-3,4-diphenylpyrrolidin-1-yl]sulfonium; difluoride CAS Name: triphenylstannanylium; tris[(3S,4S)-3,4-diphenyl-1-pyrrolidinyl]sulfonium; difluoride IUPAC Name: triphenylstannanylium; tris[(3S,4S)-3,4-diphenylpyrrolidin-1-yl]sulfanium; difluoride Traditional Name: triphenylstannanylium; tris[(3S,4S)-3,4-diphenylpyrrolidino]sulfonium; difluoride Formula: C66H63F2N3SSn MolecularWeight: 1086.998326

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1[S+](N2CC(C(C2)C3=CC=CC=C3)C4=CC=CC=C4)N5CC(C(C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3.[F-].[F-]

Isomeric SMILES

C1[C@@H]([C@H](CN1[S+](N2C[C@@H]([C@H](C2)C3=CC=CC=C3)C4=CC=CC=C4)N5C[C@@H]([C@H](C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.C1=CC=C(C=C1)[Sn+](C2=CC=CC=C2)C3=CC=CC=C3.[F-].[F-]

InChI

InChI=1S/C48H48N3S.3C6H5.2FH.Sn/c1-7-19-37(20-8-1)43-31-49(32-44(43)38-21-9-2-10-22-38)52(50-33-45(39-23-11-3-12-24-39)46(34-50)40-25-13-4-14-26-40)51-35-47(41-27-15-5-16-28-41)48(36-51)42-29-17-6-18-30-42;3*1-2-4-6-5-3-1;;;/h1-30,43-48H,31-36H2;3*1-5H;2*1H;/q+1;;;;;;+1/p-2/t43-,44-,45-,46-,47-,48-;;;;;;/m1....../s1