rhenium; tetraphenylphosphanium; hexaisothiocyanate

Systemtic Name: rhenium; tetraphenylphosphanium; hexaisothiocyanate Openeye Name: rhenium; tetraphenylphosphonium; hexaisothiocyanate CAS Name: rhenium; tetraphenylphosphonium; hexaisothiocyanate IUPAC Name: rhenium; tetraphenylphosphanium; hexaisothiocyanate Traditional Name: rhenium; tetraphenylphosphonium; hexaisothiocyanate Formula: C54H40N6P2ReS6-4 MolecularWeight: 1213.480122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.[Re]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.[Re]

InChI

InChI=1S/2C24H20P.6CNS.Re/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;6*2-1-3;/h2*1-20H;;;;;;;/q2*+1;6*-1;