phenyltin(3+); (triphenyl-$l^{5}-phosphanylidene)oxidanium; triisothiocyanate

Systemtic Name: phenyltin(3+); (triphenyl-$l^{5}-phosphanylidene)oxidanium; triisothiocyanate Openeye Name: phenyltin(3+); (triphenyl-$l^{5}-phosphanylidene)oxonium; triisothiocyanate CAS Name: phenyltin(3+); triphenylphosphoranylideneoxonium; triisothiocyanate IUPAC Name: phenyltin(3+); (triphenyl-$l^{5}-phosphanylidene)oxidanium; triisothiocyanate Traditional Name: phenyltin(3+); triphenylphosphoranylideneoxonium; triisothiocyanate Formula: C45H37N3O2P2S3Sn+2 MolecularWeight: 928.646702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=[OH+])(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=[OH+])(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Sn+3].C(=[N-])=S.C(=[N-])=S.C(=[N-])=S

Isomeric SMILES

C1=CC=C(C=C1)P(=[OH+])(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=[OH+])(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Sn+3].C(=[N-])=S.C(=[N-])=S.C(=[N-])=S

InChI

InChI=1S/2C18H15OP.C6H5.3CNS.Sn/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;3*2-1-3;/h2*1-15H;1-5H;;;;/q;;;3*-1;+3/p+2