nickel(2+); 1,3,6-oxadithiepine-4,5-dithiolate; 5-sulfanyl-1,3,6-oxadithiepine-4-thiolate; tetraphenylphosphanium

Systemtic Name: nickel(2+); 1,3,6-oxadithiepine-4,5-dithiolate; 5-sulfanyl-1,3,6-oxadithiepine-4-thiolate; tetraphenylphosphanium Openeye Name: nickelous; 1,3,6-oxadithiepine-4,5-dithiolate; 5-sulfanyl-1,3,6-oxadithiepine-4-thiolate; tetraphenylphosphonium CAS Name: 5-mercapto-1,3,6-oxadithiepin-4-thiolate; nickel(2+); 1,3,6-oxadithiepin-4,5-dithiolate; tetraphenylphosphonium IUPAC Name: nickel(2+); 1,3,6-oxadithiepine-4,5-dithiolate; 5-sulfanyl-1,3,6-oxadithiepine-4-thiolate; tetraphenylphosphanium Traditional Name: nickelous; 5-mercapto-1,3,6-oxadithiepin-4-thiolate; 1,3,6-oxadithiepin-4,5-dithiolate; tetraphenylphosphonium Formula: C32H29NiO2PS8 MolecularWeight: 791.758621

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Descriptors Computed from Structure

Canonical SMILES:

C1OCSC(=C(S1)S)[S-].C1OCSC(=C(S1)[S-])[S-].C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Ni+2]

Isomeric SMILES

C1OCSC(=C(S1)S)[S-].C1OCSC(=C(S1)[S-])[S-].C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Ni+2]

InChI

InChI=1S/C24H20P.2C4H6OS4.Ni/c1-5-13-21(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;2*6-3-4(7)9-2-5-1-8-3;/h1-20H;2*6-7H,1-2H2;/q+1;;;+2/p-3